AC44288
83527-96-2 | Methyl 2-(3-nitrophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AC44288
ChemicalName
Methyl 2-(3-nitrophenyl)benzoate
CasNumber
83527-96-2
MolecularFormula
C14H11NO4
MolecularWeight
257.2414
MdlNumber
MFCD06803020
Smiles
COC(=O)c1ccccc1c1cccc(c1)[N+](=O)[O-]
Complexity
339
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AC44288
ChemicalName: Methyl 2-(3-nitrophenyl)benzoate
CasNumber: 83527-96-2
MolecularFormula: C14H11NO4
MolecularWeight: 257.2414
MdlNumber: MFCD06803020
Smiles: COC(=O)c1ccccc1c1cccc(c1)[N+](=O)[O-]
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AC44288
ChemicalName:
Methyl 2-(3-nitrophenyl)benzoate
CasNumber:
83527-96-2
MolecularFormula:
C14H11NO4
MolecularWeight:
257.2414
MdlNumber:
MFCD06803020
Smiles:
COC(=O)c1ccccc1c1cccc(c1)[N+](=O)[O-]
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.2
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Smiles: COc1cc(ccc1NC(=O)C)NS(=O)(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1cc(ccc1NC(=O)C)NS(=O)(=O)C
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1ccc(cc1)C(=O)c1ccc(cc1)c1ccccc1
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Smiles:
COc1ccc(cc1)C(=O)c1ccc(cc1)c1ccccc1
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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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: COc1cc(C=CCOC(=O)C)ccc1O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(C=CCOC(=O)C)ccc1O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__