AF41289
243984-48-7 | Methyl 3-chloro-4-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AF41289
ChemicalName
Methyl 3-chloro-4-nitrobenzoate
CasNumber
243984-48-7
MolecularFormula
C8H6ClNO4
MolecularWeight
215.5905
MdlNumber
MFCD11977375
Smiles
COC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-]
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AF41289
ChemicalName: Methyl 3-chloro-4-nitrobenzoate
CasNumber: 243984-48-7
MolecularFormula: C8H6ClNO4
MolecularWeight: 215.5905
MdlNumber: MFCD11977375
Smiles: COC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-]
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AF41289
ChemicalName:
Methyl 3-chloro-4-nitrobenzoate
CasNumber:
243984-48-7
MolecularFormula:
C8H6ClNO4
MolecularWeight:
215.5905
MdlNumber:
MFCD11977375
Smiles:
COC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-]
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.3
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Smiles: C[n+]1c(C)sc2c1cccc2.[I-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
C[n+]1c(C)sc2c1cccc2.[I-]
Complexity:
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Smiles: Nc1ccnn1c1nc2c(s1)cccc2
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Smiles:
Nc1ccnn1c1nc2c(s1)cccc2
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1c(C)cccc1C(=O)Cl
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HydrogenBondAcceptorCount: __
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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:
COc1c(C)cccc1C(=O)Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__