AE82235
167833-93-4 | 4-(2-Oxopyrrolidin-1-yl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE82235
ChemicalName
4-(2-Oxopyrrolidin-1-yl)benzonitrile
CasNumber
167833-93-4
MolecularFormula
C11H10N2O
MolecularWeight
186.2099
MdlNumber
MFCD07345520
Smiles
N#Cc1ccc(cc1)N1CCCC1=O
Complexity
270
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AE82235
ChemicalName: 4-(2-Oxopyrrolidin-1-yl)benzonitrile
CasNumber: 167833-93-4
MolecularFormula: C11H10N2O
MolecularWeight: 186.2099
MdlNumber: MFCD07345520
Smiles: N#Cc1ccc(cc1)N1CCCC1=O
Complexity: 270
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AE82235
ChemicalName:
4-(2-Oxopyrrolidin-1-yl)benzonitrile
CasNumber:
167833-93-4
MolecularFormula:
C11H10N2O
MolecularWeight:
186.2099
MdlNumber:
MFCD07345520
Smiles:
N#Cc1ccc(cc1)N1CCCC1=O
Complexity:
270
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
1.1
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Smiles: Clc1ccc(c(c1)Cl)COc1ccccc1C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
Clc1ccc(c(c1)Cl)COc1ccccc1C(=O)O
Complexity:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: OC(=O)C(N1C(=O)c2c(C1=O)c(ccc2)[N+](=O)[O-])C
Complexity: __
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Smiles:
OC(=O)C(N1C(=O)c2c(C1=O)c(ccc2)[N+](=O)[O-])C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.OCC[n+]1ccn(c1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.OCC[n+]1ccn(c1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__