AI52212
54405-42-4 | 3-(4-Nitro-phenyl)-propionic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI52212
ChemicalName
3-(4-Nitro-phenyl)-propionic acid methyl ester
CasNumber
54405-42-4
MolecularFormula
C10H11NO4
MolecularWeight
209.1986
MdlNumber
MFCD00126837
Smiles
COC(=O)CCc1ccc(cc1)[N+](=O)[O-]
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AI52212
ChemicalName: 3-(4-Nitro-phenyl)-propionic acid methyl ester
CasNumber: 54405-42-4
MolecularFormula: C10H11NO4
MolecularWeight: 209.1986
MdlNumber: MFCD00126837
Smiles: COC(=O)CCc1ccc(cc1)[N+](=O)[O-]
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AI52212
ChemicalName:
3-(4-Nitro-phenyl)-propionic acid methyl ester
CasNumber:
54405-42-4
MolecularFormula:
C10H11NO4
MolecularWeight:
209.1986
MdlNumber:
MFCD00126837
Smiles:
COC(=O)CCc1ccc(cc1)[N+](=O)[O-]
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC/C=C(/C(OC(=O)C1C(C1(C)C)C=C(C)C)C#C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC/C=C(/C(OC(=O)C1C(C1(C)C)C=C(C)C)C#C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI52214
ChemicalName: N-Methyl-n-(2-nitrobenzyl)amine hydrochloride
CasNumber: 5441-60-1
MolecularFormula: C8H11ClN2O2
MolecularWeight: 202.6381
MdlNumber: MFCD09971668
Smiles: CNCc1ccccc1[N+](=O)[O-].Cl
Complexity: 156
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AI52214
ChemicalName:
N-Methyl-n-(2-nitrobenzyl)amine hydrochloride
CasNumber:
5441-60-1
MolecularFormula:
C8H11ClN2O2
MolecularWeight:
202.6381
MdlNumber:
MFCD09971668
Smiles:
CNCc1ccccc1[N+](=O)[O-].Cl
Complexity:
156
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN(CC)C(=O)C(=C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN(CC)C(=O)C(=C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__