AH21634
68502-46-5 | Methyl 4-(benzylamino)-3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AH21634
ChemicalName
Methyl 4-(benzylamino)-3-nitrobenzoate
CasNumber
68502-46-5
MolecularFormula
C15H14N2O4
MolecularWeight
286.2827
MdlNumber
MFCD09862452
Smiles
COC(=O)c1ccc(c(c1)[N+](=O)[O-])NCc1ccccc1
Complexity
363
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.6
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CatalogNumber: AH21634
ChemicalName: Methyl 4-(benzylamino)-3-nitrobenzoate
CasNumber: 68502-46-5
MolecularFormula: C15H14N2O4
MolecularWeight: 286.2827
MdlNumber: MFCD09862452
Smiles: COC(=O)c1ccc(c(c1)[N+](=O)[O-])NCc1ccccc1
Complexity: 363
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.6
CatalogNumber:
AH21634
ChemicalName:
Methyl 4-(benzylamino)-3-nitrobenzoate
CasNumber:
68502-46-5
MolecularFormula:
C15H14N2O4
MolecularWeight:
286.2827
MdlNumber:
MFCD09862452
Smiles:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])NCc1ccccc1
Complexity:
363
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@@H]1CN(C[C@H]1c1cccc(c1)F)Cc1ccccc1
Complexity: 397
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
__
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:
COC(=O)[C@@H]1CN(C[C@H]1c1cccc(c1)F)Cc1ccccc1
Complexity:
397
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CCC(CC1)C(=O)N2CCCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C1CCC(CC1)C(=O)N2CCCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CCC(C1)C(=O)N2CCCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CCC(C1)C(=O)N2CCCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__