AE62531
1400644-88-3 | 3-(Benzylamino)-4-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE62531
ChemicalName
3-(Benzylamino)-4-nitrobenzoic acid
CasNumber
1400644-88-3
MolecularFormula
C14H12N2O4
MolecularWeight
272.2561
MdlNumber
MFCD22421498
Smiles
OC(=O)c1ccc(c(c1)NCc1ccccc1)[N+](=O)[O-]
Complexity
350
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
3.3
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CatalogNumber: AE62531
ChemicalName: 3-(Benzylamino)-4-nitrobenzoic acid
CasNumber: 1400644-88-3
MolecularFormula: C14H12N2O4
MolecularWeight: 272.2561
MdlNumber: MFCD22421498
Smiles: OC(=O)c1ccc(c(c1)NCc1ccccc1)[N+](=O)[O-]
Complexity: 350
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 3.3
CatalogNumber:
AE62531
ChemicalName:
3-(Benzylamino)-4-nitrobenzoic acid
CasNumber:
1400644-88-3
MolecularFormula:
C14H12N2O4
MolecularWeight:
272.2561
MdlNumber:
MFCD22421498
Smiles:
OC(=O)c1ccc(c(c1)NCc1ccccc1)[N+](=O)[O-]
Complexity:
350
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(Nc1ccc(cc1Cl)Br)OCc1ccccc1
Complexity: 297
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Nc1ccc(cc1Cl)Br)OCc1ccccc1
Complexity:
297
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(Nc1ccc(cc1F)Br)OCc1ccccc1
Complexity: 297
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Nc1ccc(cc1F)Br)OCc1ccccc1
Complexity:
297
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cccc(c1)C(NCc1ccccc1)(C)C.Cl
Complexity: 246
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cccc(c1)C(NCc1ccccc1)(C)C.Cl
Complexity:
246
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__