AF31508
205827-96-9 | N-(2-Chloro-5-nitrophenyl)benzamide
Manufacturer: A2B Chem
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CatalogNumber
AF31508
ChemicalName
N-(2-Chloro-5-nitrophenyl)benzamide
CasNumber
205827-96-9
MolecularFormula
C13H9ClN2O3
MolecularWeight
276.6752
MdlNumber
MFCD01212006
Smiles
O=C(c1ccccc1)Nc1cc(ccc1Cl)[N+](=O)[O-]
Complexity
339
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.6
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CatalogNumber: AF31508
ChemicalName: N-(2-Chloro-5-nitrophenyl)benzamide
CasNumber: 205827-96-9
MolecularFormula: C13H9ClN2O3
MolecularWeight: 276.6752
MdlNumber: MFCD01212006
Smiles: O=C(c1ccccc1)Nc1cc(ccc1Cl)[N+](=O)[O-]
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.6
CatalogNumber:
AF31508
ChemicalName:
N-(2-Chloro-5-nitrophenyl)benzamide
CasNumber:
205827-96-9
MolecularFormula:
C13H9ClN2O3
MolecularWeight:
276.6752
MdlNumber:
MFCD01212006
Smiles:
O=C(c1ccccc1)Nc1cc(ccc1Cl)[N+](=O)[O-]
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.6
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MolecularFormula: __
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Smiles: CCCCCCCC/C=C\CCCCCC(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCCCCC/C=C\CCCCCC(=O)O
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HydrogenBondDonorCount:
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RotatableBondCount:
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MolecularFormula: __
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Smiles: COC(=O)CC[C@@H]1O[C@@H]([C@H]([C@@H]1O)O)c1ccccc1
Complexity: __
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Smiles:
COC(=O)CC[C@@H]1O[C@@H]([C@H]([C@@H]1O)O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: O[C@@H]1C[C@H](O[C@H]1C)C[N+](C)(C)C.[I-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1C[C@H](O[C@H]1C)C[N+](C)(C)C.[I-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__