AI52588
561052-28-6 | 4-Nitrophenyl 3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI52588
ChemicalName
4-Nitrophenyl 3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CasNumber
561052-28-6
MolecularFormula
C14H14N2O5
MolecularWeight
290.2713599999999
MdlNumber
MFCD29059404
Smiles
CCC1=C(C)CN(C1=O)C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Complexity
486
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AI52588
ChemicalName: 4-Nitrophenyl 3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CasNumber: 561052-28-6
MolecularFormula: C14H14N2O5
MolecularWeight: 290.2713599999999
MdlNumber: MFCD29059404
Smiles: CCC1=C(C)CN(C1=O)C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Complexity: 486
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AI52588
ChemicalName:
4-Nitrophenyl 3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CasNumber:
561052-28-6
MolecularFormula:
C14H14N2O5
MolecularWeight:
290.2713599999999
MdlNumber:
MFCD29059404
Smiles:
CCC1=C(C)CN(C1=O)C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Complexity:
486
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
2.1
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Smiles: COC(=N)C1=CC=C(C=C1)F.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC(=N)C1=CC=C(C=C1)F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=N)c1ccc(cc1)C(F)(F)F.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=N)c1ccc(cc1)C(F)(F)F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=N)c1cccc(c1)C(F)(F)F.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=N)c1cccc(c1)C(F)(F)F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__