AH84444
89900-93-6 | Methyl 4-(3-nitrophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AH84444
ChemicalName
Methyl 4-(3-nitrophenyl)benzoate
CasNumber
89900-93-6
MolecularFormula
C14H11NO4
MolecularWeight
257.2414
MdlNumber
MFCD01846431
Smiles
COC(=O)c1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Complexity
331
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
3.7
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CatalogNumber: AH84444
ChemicalName: Methyl 4-(3-nitrophenyl)benzoate
CasNumber: 89900-93-6
MolecularFormula: C14H11NO4
MolecularWeight: 257.2414
MdlNumber: MFCD01846431
Smiles: COC(=O)c1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Complexity: 331
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AH84444
ChemicalName:
Methyl 4-(3-nitrophenyl)benzoate
CasNumber:
89900-93-6
MolecularFormula:
C14H11NO4
MolecularWeight:
257.2414
MdlNumber:
MFCD01846431
Smiles:
COC(=O)c1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Complexity:
331
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.7
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Smiles: CCN(c1ccc(cc1)B(O)O)CC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCN(c1ccc(cc1)B(O)O)CC
Complexity:
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1ccccc1c1ccccc1C=O
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Smiles:
COc1ccccc1c1ccccc1C=O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: N#Cc1cccc(c1)c1cncc(c1)C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1cccc(c1)c1cncc(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__