AG22643
4513-77-3 | 2-Oxocyclohexanecarbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AG22643
ChemicalName
2-Oxocyclohexanecarbonitrile
CasNumber
4513-77-3
MolecularFormula
C7H9NO
MolecularWeight
123.1525
MdlNumber
MFCD00154839
Smiles
N#CC1CCCCC1=O
NscNumber
2841
Complexity
165
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.9
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CatalogNumber: AG22643
ChemicalName: 2-Oxocyclohexanecarbonitrile
CasNumber: 4513-77-3
MolecularFormula: C7H9NO
MolecularWeight: 123.1525
MdlNumber: MFCD00154839
Smiles: N#CC1CCCCC1=O
NscNumber: 2841
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.9
CatalogNumber:
AG22643
ChemicalName:
2-Oxocyclohexanecarbonitrile
CasNumber:
4513-77-3
MolecularFormula:
C7H9NO
MolecularWeight:
123.1525
MdlNumber:
MFCD00154839
Smiles:
N#CC1CCCCC1=O
NscNumber:
2841
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: C=CS(=O)(=O)Oc1c(F)c(F)c(c(c1F)F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
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Smiles:
C=CS(=O)(=O)Oc1c(F)c(F)c(c(c1F)F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: COC(=O)c1cccc(c1)Cn1cccn1
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HeavyAtomCount: __
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__
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MolecularFormula:
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Smiles:
COC(=O)c1cccc(c1)Cn1cccn1
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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Smiles: BrC(c1ccc(cc1)Cl)C#N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
BrC(c1ccc(cc1)Cl)C#N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__