AA36422
1261964-85-5 | 3-(Naphthalen-1-yl)-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36422
ChemicalName
3-(Naphthalen-1-yl)-5-nitrobenzoic acid
CasNumber
1261964-85-5
MolecularFormula
C17H11NO4
MolecularWeight
293.2735
MdlNumber
MFCD18321576
Smiles
OC(=O)c1cc(cc(c1)c1cccc2c1cccc2)[N+](=O)[O-]
Complexity
433
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.2
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CatalogNumber: AA36422
ChemicalName: 3-(Naphthalen-1-yl)-5-nitrobenzoic acid
CasNumber: 1261964-85-5
MolecularFormula: C17H11NO4
MolecularWeight: 293.2735
MdlNumber: MFCD18321576
Smiles: OC(=O)c1cc(cc(c1)c1cccc2c1cccc2)[N+](=O)[O-]
Complexity: 433
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.2
CatalogNumber:
AA36422
ChemicalName:
3-(Naphthalen-1-yl)-5-nitrobenzoic acid
CasNumber:
1261964-85-5
MolecularFormula:
C17H11NO4
MolecularWeight:
293.2735
MdlNumber:
MFCD18321576
Smiles:
OC(=O)c1cc(cc(c1)c1cccc2c1cccc2)[N+](=O)[O-]
Complexity:
433
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Fc1cc(Cl)cc(c1)c1cncc(c1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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:
Fc1cc(Cl)cc(c1)c1cncc(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1ccc(cc1)c1ccc(cc1C)C(=O)O
Complexity: 284
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1ccc(cc1)c1ccc(cc1C)C(=O)O
Complexity:
284
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(c(c1)F)c1cccc(c1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(c(c1)F)c1cccc(c1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__