AI47239
312921-97-4 | Ethyl 4-(benzylamino)-3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI47239
ChemicalName
Ethyl 4-(benzylamino)-3-nitrobenzoate
CasNumber
312921-97-4
MolecularFormula
C16H16N2O4
MolecularWeight
300.3092
MdlNumber
MFCD02089286
Smiles
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NCc1ccccc1
Complexity
377
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
4
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CatalogNumber: AI47239
ChemicalName: Ethyl 4-(benzylamino)-3-nitrobenzoate
CasNumber: 312921-97-4
MolecularFormula: C16H16N2O4
MolecularWeight: 300.3092
MdlNumber: MFCD02089286
Smiles: CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NCc1ccccc1
Complexity: 377
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 4
CatalogNumber:
AI47239
ChemicalName:
Ethyl 4-(benzylamino)-3-nitrobenzoate
CasNumber:
312921-97-4
MolecularFormula:
C16H16N2O4
MolecularWeight:
300.3092
MdlNumber:
MFCD02089286
Smiles:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NCc1ccccc1
Complexity:
377
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
4
CatalogNumber: __
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Smiles: OC(=O)c1nn2c(c1)nc(cc2C)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OC(=O)c1nn2c(c1)nc(cc2C)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: OC(=O)c1cnn2c1nc(cc2C(F)(F)F)c1ccc(cc1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cnn2c1nc(cc2C(F)(F)F)c1ccc(cc1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__