902491
  -OEChem-04262419292D

 25 27  0     0  0  0  0  0  0999 V2000
    2.0000   -0.4585    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    0.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331    0.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1272    0.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331    2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1272    2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  2  0  0  0  0
  9 18  1  0  0  0  0
 10 14  2  0  0  0  0
 10 19  1  0  0  0  0
 11 15  1  0  0  0  0
 11 20  1  0  0  0  0
 12 16  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 15 17  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
902491

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
255

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHAIIAAAADAqBHiAwwPAAAACiAyRiQACCBAAgBwAYmCAwZpgIIKKB09GAJABggAAIyAcQgMAOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-chloro-4-phenyl-1,2,3-benzotriazine

> <PUBCHEM_IUPAC_CAS_NAME>
6-chloro-4-phenyl-1,2,3-benzotriazine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-chloro-4-phenyl-1,2,3-benzotriazine

> <PUBCHEM_IUPAC_NAME>
6-chloro-4-phenyl-1,2,3-benzotriazine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-chloranyl-4-phenyl-1,2,3-benzotriazine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-chloro-4-phenyl-1,2,3-benzotriazine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H8ClN3/c14-10-6-7-12-11(8-10)13(16-17-15-12)9-4-2-1-3-5-9/h1-8H

> <PUBCHEM_IUPAC_INCHIKEY>
FAONSHXBPKBFFM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
241.0406750

> <PUBCHEM_MOLECULAR_FORMULA>
C13H8ClN3

> <PUBCHEM_MOLECULAR_WEIGHT>
241.67

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=NN=NC3=C2C=C(C=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=NN=NC3=C2C=C(C=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
38.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
241.0406750

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  16  8
13  14  8
15  17  8
16  17  8
2  4  8
2  6  8
3  4  8
3  8  8
5  6  8
5  8  8
5  9  8
7  11  8
7  12  8
8  10  8
9  13  8

$$$$