65409
  -OEChem-05112411262D

 22 23  0     0  0  0  0  0  0999 V2000
    2.0000    0.1307    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1307    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    1.0922    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.8860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8120    1.2984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6272    2.0707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0397    0.1137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.6740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.2633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479   -0.8693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0046    1.8878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0379    2.2633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4 11  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 12 18  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65409

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
314

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYByOAIEEAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgJQCCABrA7BniQ8xvLJkRCgQzRnRISCgCAxZiQI2aA/brgKJuLBkpOEMAhm0BnYyheQwKAOAAAgEAIDAAIAAEAgBAYABAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5-bromo-4-chloro-1H-indol-3-yl) dihydrogen phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
(5-bromo-4-chloro-1H-indol-3-yl) dihydrogen phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5-bromo-4-chloro-1<I>H</I>-indol-3-yl) dihydrogen phosphate

> <PUBCHEM_IUPAC_NAME>
(5-bromo-4-chloro-1H-indol-3-yl) dihydrogen phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5-bromanyl-4-chloranyl-1H-indol-3-yl) dihydrogen phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5-bromo-4-chloro-1H-indol-3-yl) dihydrogen phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H6BrClNO4P/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14/h1-3,11H,(H2,12,13,14)

> <PUBCHEM_IUPAC_INCHIKEY>
QRXMUCSWCMTJGU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
324.89063

> <PUBCHEM_MOLECULAR_FORMULA>
C8H6BrClNO4P

> <PUBCHEM_MOLECULAR_WEIGHT>
326.47

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C2=C1NC=C2OP(=O)(O)O)Cl)Br

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C2=C1NC=C2OP(=O)(O)O)Cl)Br

> <PUBCHEM_CACTVS_TPSA>
82.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
324.89063

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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  12  8
13  15  8
14  16  8
15  16  8
8  10  8
8  12  8
9  10  8
9  11  8
9  13  8

$$$$