AA85607
163563-64-2 | 2-Chloro-4-phenylnicotinonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA85607
ChemicalName
2-Chloro-4-phenylnicotinonitrile
CasNumber
163563-64-2
MolecularFormula
C12H7ClN2
MolecularWeight
214.6504
MdlNumber
MFCD01935958
Smiles
N#Cc1c(Cl)nccc1c1ccccc1
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
3.2
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CatalogNumber: AA85607
ChemicalName: 2-Chloro-4-phenylnicotinonitrile
CasNumber: 163563-64-2
MolecularFormula: C12H7ClN2
MolecularWeight: 214.6504
MdlNumber: MFCD01935958
Smiles: N#Cc1c(Cl)nccc1c1ccccc1
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AA85607
ChemicalName:
2-Chloro-4-phenylnicotinonitrile
CasNumber:
163563-64-2
MolecularFormula:
C12H7ClN2
MolecularWeight:
214.6504
MdlNumber:
MFCD01935958
Smiles:
N#Cc1c(Cl)nccc1c1ccccc1
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
3.2
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Smiles: Nc1ccc(cn1)c1cccc(c1)C(F)(F)F
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HydrogenBondAcceptorCount: __
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Smiles:
Nc1ccc(cn1)c1cccc(c1)C(F)(F)F
Complexity:
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Smiles: Nc1ncccc1c1cccnc1
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Smiles:
Nc1ncccc1c1cccnc1
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RotatableBondCount:
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Smiles: O=C(N[C@H](C(=O)[O-])CSS(=O)(=O)[O-])OCC1c2ccccc2-c2c1cccc2.[Na+].[Na+]
Complexity: __
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HeavyAtomCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C(N[C@H](C(=O)[O-])CSS(=O)(=O)[O-])OCC1c2ccccc2-c2c1cccc2.[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__