AC96944
6945-87-5 | 2-Chlorobicyclo[2.2.1]hept-5-ene-2-carbonitrile, mix. of endo/exo
Manufacturer: A2B Chem
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CatalogNumber
AC96944
ChemicalName
2-Chlorobicyclo[2.2.1]hept-5-ene-2-carbonitrile, mix. of endo/exo
CasNumber
6945-87-5
MolecularFormula
C8H8ClN
MolecularWeight
153.6088
MdlNumber
MFCD01566417
Smiles
ClC1(CC2CC1C=C2)C#N
NscNumber
52586
Complexity
237
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
UndefinedAtomStereocenterCount
3
Xlogp3
1.7
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CatalogNumber: AC96944
ChemicalName: 2-Chlorobicyclo[2.2.1]hept-5-ene-2-carbonitrile, mix. of endo/exo
CasNumber: 6945-87-5
MolecularFormula: C8H8ClN
MolecularWeight: 153.6088
MdlNumber: MFCD01566417
Smiles: ClC1(CC2CC1C=C2)C#N
NscNumber: 52586
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
UndefinedAtomStereocenterCount: 3
Xlogp3: 1.7
CatalogNumber:
AC96944
ChemicalName:
2-Chlorobicyclo[2.2.1]hept-5-ene-2-carbonitrile, mix. of endo/exo
CasNumber:
6945-87-5
MolecularFormula:
C8H8ClN
MolecularWeight:
153.6088
MdlNumber:
MFCD01566417
Smiles:
ClC1(CC2CC1C=C2)C#N
NscNumber:
52586
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
UndefinedAtomStereocenterCount:
3
Xlogp3:
1.7
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Smiles: N#[N+]c1ccc(c(c1)C)C.[Cl-]
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Smiles:
N#[N+]c1ccc(c(c1)C)C.[Cl-]
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Smiles: C=CCOCCCS(=O)(=O)[O-].[K+]
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C=CCOCCCS(=O)(=O)[O-].[K+]
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Smiles: C=COCC(C(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Smiles:
C=COCC(C(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__