AI51691
52119-38-7 | Ethyl 3-(3-nitrophenyl)-3-oxopropanoate
Manufacturer: A2B Chem
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CatalogNumber
AI51691
ChemicalName
Ethyl 3-(3-nitrophenyl)-3-oxopropanoate
CasNumber
52119-38-7
MolecularFormula
C11H11NO5
MolecularWeight
237.2087
MdlNumber
MFCD00126483
Smiles
CCOC(=O)CC(=O)c1cccc(c1)[N+](=O)[O-]
Complexity
310
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
RotatableBondCount
5
Xlogp3
1.7
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CatalogNumber: AI51691
ChemicalName: Ethyl 3-(3-nitrophenyl)-3-oxopropanoate
CasNumber: 52119-38-7
MolecularFormula: C11H11NO5
MolecularWeight: 237.2087
MdlNumber: MFCD00126483
Smiles: CCOC(=O)CC(=O)c1cccc(c1)[N+](=O)[O-]
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 1.7
CatalogNumber:
AI51691
ChemicalName:
Ethyl 3-(3-nitrophenyl)-3-oxopropanoate
CasNumber:
52119-38-7
MolecularFormula:
C11H11NO5
MolecularWeight:
237.2087
MdlNumber:
MFCD00126483
Smiles:
CCOC(=O)CC(=O)c1cccc(c1)[N+](=O)[O-]
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCCOS1(=O)=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCCOS1(=O)=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1OC)NC(=O)c1c(F)cccc1F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1OC)NC(=O)c1c(F)cccc1F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccc(c1C)N
Complexity: 158
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccc(c1C)N
Complexity:
158
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1