16196093
  -OEChem-04252401582D

 32 32  0     0  0  0  0  0  0999 V2000
    8.3531    3.3700    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    5.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3531    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    7.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1131    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3531    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 14  2  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  9 13  2  0  0  0  0
  9 20  1  0  0  0  0
 10 15  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16196093

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
202

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAACAyBkAIyxoLABACAACRCQACCCAAhIgAIiAAGfIgMZmLEsZuUMChk0BHI6AewQAAAAEAAAAAAACAAgAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N2-(4-methoxyphenyl)benzene-1,2-diamine;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
N2-(4-methoxyphenyl)benzene-1,2-diamine;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-<I>N</I>-(4-methoxyphenyl)benzene-1,2-diamine;hydrochloride

> <PUBCHEM_IUPAC_NAME>
2-N-(4-methoxyphenyl)benzene-1,2-diamine;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N2-(4-methoxyphenyl)benzene-1,2-diamine;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2-aminophenyl)-(4-methoxyphenyl)amine;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H14N2O.ClH/c1-16-11-8-6-10(7-9-11)15-13-5-3-2-4-12(13)14;/h2-9,15H,14H2,1H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
HVSCGGBMKWCYSY-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
250.0872908

> <PUBCHEM_MOLECULAR_FORMULA>
C13H15ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
250.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)NC2=CC=CC=C2N.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)NC2=CC=CC=C2N.Cl

> <PUBCHEM_CACTVS_TPSA>
47.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
250.0872908

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
11  12  8
11  13  8
14  16  8
15  16  8
5  10  8
5  7  8
6  8  8
6  9  8
7  14  8
8  12  8
9  13  8

$$$$