AI51706
5219-07-8 | 2-(4-Chlorophenyl)-3-oxobutanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AI51706
ChemicalName
2-(4-Chlorophenyl)-3-oxobutanenitrile
CasNumber
5219-07-8
MolecularFormula
C10H8ClNO
MolecularWeight
193.6296
MdlNumber
MFCD01672899
Smiles
N#CC(c1ccc(cc1)Cl)C(=O)C
Complexity
235
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AI51706
ChemicalName: 2-(4-Chlorophenyl)-3-oxobutanenitrile
CasNumber: 5219-07-8
MolecularFormula: C10H8ClNO
MolecularWeight: 193.6296
MdlNumber: MFCD01672899
Smiles: N#CC(c1ccc(cc1)Cl)C(=O)C
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AI51706
ChemicalName:
2-(4-Chlorophenyl)-3-oxobutanenitrile
CasNumber:
5219-07-8
MolecularFormula:
C10H8ClNO
MolecularWeight:
193.6296
MdlNumber:
MFCD01672899
Smiles:
N#CC(c1ccc(cc1)Cl)C(=O)C
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(c(c1)c1cnco1)Cl
Complexity: 179
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(c(c1)c1cnco1)Cl
Complexity:
179
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CN=C(N1)C1CCCc2c1cccc2.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CN=C(N1)C1CCCc2c1cccc2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CCC(CC1)Oc1ccccn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CCC(CC1)Oc1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__