AI64049
952183-54-9 | Methyl 3-(ethylamino)-4-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI64049
ChemicalName
Methyl 3-(ethylamino)-4-nitrobenzoate
CasNumber
952183-54-9
MolecularFormula
C10H12N2O4
MolecularWeight
224.2133
MdlNumber
MFCD09607946
Smiles
CCNc1cc(ccc1[N+](=O)[O-])C(=O)OC
Complexity
264
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.5
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CatalogNumber: AI64049
ChemicalName: Methyl 3-(ethylamino)-4-nitrobenzoate
CasNumber: 952183-54-9
MolecularFormula: C10H12N2O4
MolecularWeight: 224.2133
MdlNumber: MFCD09607946
Smiles: CCNc1cc(ccc1[N+](=O)[O-])C(=O)OC
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AI64049
ChemicalName:
Methyl 3-(ethylamino)-4-nitrobenzoate
CasNumber:
952183-54-9
MolecularFormula:
C10H12N2O4
MolecularWeight:
224.2133
MdlNumber:
MFCD09607946
Smiles:
CCNc1cc(ccc1[N+](=O)[O-])C(=O)OC
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1=C(NC(=O)NC1c1ccc(cc1)C(C)(C)C)CC(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
COC(=O)C1=C(NC(=O)NC1c1ccc(cc1)C(C)(C)C)CC(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CC1=C(C(=O)OC)C(NC(=O)N1)c1ccc(cc1)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CC1=C(C(=O)OC)C(NC(=O)N1)c1ccc(cc1)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cn(Cc2ccc(c(c2)Cl)Cl)c(=O)c(c1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=Cc1cn(Cc2ccc(c(c2)Cl)Cl)c(=O)c(c1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__