13000765
  -OEChem-04162420002D

 25 28  0     0  0  0  0  0  0999 V2000
    2.0000    0.3869    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.9110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1332    0.2439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.9110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    2.4110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7393   -0.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7280   -0.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    1.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1186   -1.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1646   -1.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    2.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5332   -2.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5631   -2.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    1.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5027   -1.3182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -0.2436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7819   -1.6599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    3.0657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1673   -2.8388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8180   -3.0109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    2.2439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 19  1  0  0  0  0
 12 16  2  0  0  0  0
 12 20  1  0  0  0  0
 13 17  2  0  0  0  0
 13 21  1  0  0  0  0
 14 18  2  0  0  0  0
 14 22  1  0  0  0  0
 15 17  1  0  0  0  0
 15 23  1  0  0  0  0
 16 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
13000765

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
326

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzgAAEAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFix/AAAHAIIAAAADAqBHiAwwPAAAACiAyRiQACSBAAgBwAYmCAwZpgIIKKB09GApABgiAAIyAcQgMAOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloroindazolo[2,3-c][1,2,3]benzotriazine

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloroindazolo[2,3-c][1,2,3]benzotriazine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloroindazolo[2,3-c][1,2,3]benzotriazine

> <PUBCHEM_IUPAC_NAME>
2-chloroindazolo[2,3-c][1,2,3]benzotriazine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranylindazolo[2,3-c][1,2,3]benzotriazine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloroindazolo[2,3-c][1,2,3]benzotriazine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H7ClN4/c14-8-5-6-11-10(7-8)13-9-3-1-2-4-12(9)16-18(13)17-15-11/h1-7H

> <PUBCHEM_IUPAC_INCHIKEY>
HSPWKJSACGMLHV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
254.0359239

> <PUBCHEM_MOLECULAR_FORMULA>
C13H7ClN4

> <PUBCHEM_MOLECULAR_WEIGHT>
254.67

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C3C4=C(C=CC(=C4)Cl)N=NN3N=C2C=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C3C4=C(C=CC(=C4)Cl)N=NN3N=C2C=C1

> <PUBCHEM_CACTVS_TPSA>
43.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
254.0359239

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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  17  8
14  18  8
15  17  8
16  18  8
2  3  8
2  4  8
2  6  8
3  9  8
4  5  8
5  10  8
6  7  8
6  8  8
7  11  8
7  9  8
8  10  8
8  12  8
9  13  8

$$$$