AI19760
1261908-88-6 | 3-(3-Methoxycarbonylphenyl)-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI19760
ChemicalName
3-(3-Methoxycarbonylphenyl)-5-nitrobenzoic acid
CasNumber
1261908-88-6
MolecularFormula
C15H11NO6
MolecularWeight
301.2509
MdlNumber
MFCD18321217
Smiles
COC(=O)c1cccc(c1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity
446
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.8
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CatalogNumber: AI19760
ChemicalName: 3-(3-Methoxycarbonylphenyl)-5-nitrobenzoic acid
CasNumber: 1261908-88-6
MolecularFormula: C15H11NO6
MolecularWeight: 301.2509
MdlNumber: MFCD18321217
Smiles: COC(=O)c1cccc(c1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity: 446
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.8
CatalogNumber:
AI19760
ChemicalName:
3-(3-Methoxycarbonylphenyl)-5-nitrobenzoic acid
CasNumber:
1261908-88-6
MolecularFormula:
C15H11NO6
MolecularWeight:
301.2509
MdlNumber:
MFCD18321217
Smiles:
COC(=O)c1cccc(c1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity:
446
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.8
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Smiles: OC(=O)c1ccc(c(c1)O)c1cccc(c1)OC(F)(F)F
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Smiles:
OC(=O)c1ccc(c(c1)O)c1cccc(c1)OC(F)(F)F
Complexity:
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Smiles: COC(=O)c1ccc(c(c1)F)c1ccc(c(c1)O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
COC(=O)c1ccc(c(c1)F)c1ccc(c(c1)O)C(=O)O
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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Smiles: C1=CC(=C(C(=C1)Cl)C(=O)O)C2=CSC=C2
Complexity: __
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HeavyAtomCount: __
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Xlogp3: __
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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:
C1=CC(=C(C(=C1)Cl)C(=O)O)C2=CSC=C2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__