AA74698
149506-24-1 | Methyl 3-(3-nitrophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA74698
ChemicalName
Methyl 3-(3-nitrophenyl)benzoate
CasNumber
149506-24-1
MolecularFormula
C14H11NO4
MolecularWeight
257.2414
MdlNumber
MFCD06803017
Smiles
COC(=O)c1cccc(c1)c1cccc(c1)[N+](=O)[O-]
Complexity
339
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AA74698
ChemicalName: Methyl 3-(3-nitrophenyl)benzoate
CasNumber: 149506-24-1
MolecularFormula: C14H11NO4
MolecularWeight: 257.2414
MdlNumber: MFCD06803017
Smiles: COC(=O)c1cccc(c1)c1cccc(c1)[N+](=O)[O-]
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AA74698
ChemicalName:
Methyl 3-(3-nitrophenyl)benzoate
CasNumber:
149506-24-1
MolecularFormula:
C14H11NO4
MolecularWeight:
257.2414
MdlNumber:
MFCD06803017
Smiles:
COC(=O)c1cccc(c1)c1cccc(c1)[N+](=O)[O-]
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.2
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Smiles: NC1CCc2c(C1)ccc(c2)C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
NC1CCc2c(C1)ccc(c2)C(=O)O
Complexity:
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C(Nc1ccc(cc1)CCC(=O)O)OC(C)(C)C
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Smiles:
O=C(Nc1ccc(cc1)CCC(=O)O)OC(C)(C)C
Complexity:
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Smiles: CCCCCC/C=C/C(=O)OC
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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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Smiles:
CCCCCC/C=C/C(=O)OC
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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