AH90998
898907-67-0 | 5-(3-Nitrophenyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AH90998
ChemicalName
5-(3-Nitrophenyl)nicotinic acid
CasNumber
898907-67-0
MolecularFormula
C12H8N2O4
MolecularWeight
244.2029
MdlNumber
MFCD06410280
Smiles
OC(=O)c1cncc(c1)c1cccc(c1)[N+](=O)[O-]
Complexity
329
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AH90998
ChemicalName: 5-(3-Nitrophenyl)nicotinic acid
CasNumber: 898907-67-0
MolecularFormula: C12H8N2O4
MolecularWeight: 244.2029
MdlNumber: MFCD06410280
Smiles: OC(=O)c1cncc(c1)c1cccc(c1)[N+](=O)[O-]
Complexity: 329
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AH90998
ChemicalName:
5-(3-Nitrophenyl)nicotinic acid
CasNumber:
898907-67-0
MolecularFormula:
C12H8N2O4
MolecularWeight:
244.2029
MdlNumber:
MFCD06410280
Smiles:
OC(=O)c1cncc(c1)c1cccc(c1)[N+](=O)[O-]
Complexity:
329
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
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Smiles: O=Cc1cncc(c1)c1cccc(c1F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=Cc1cncc(c1)c1cccc(c1F)F
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: CCOC(=O)CC(=O)c1ccc(nc1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
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Smiles:
CCOC(=O)CC(=O)c1ccc(nc1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cncc(c1)c1cccc(c1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cncc(c1)c1cccc(c1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__