AA88400
165806-95-1 | Alpha-(p-toluenesulfonyl)-4-fluorobenzylisonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA88400
ChemicalName
Alpha-(p-toluenesulfonyl)-4-fluorobenzylisonitrile
CasNumber
165806-95-1
MolecularFormula
C15H12FNO2S
MolecularWeight
289.3246832
MdlNumber
MFCD03787932
Smiles
[C-]#[N+]C(S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)F
Complexity
460
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
3.1
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CatalogNumber: AA88400
ChemicalName: Alpha-(p-toluenesulfonyl)-4-fluorobenzylisonitrile
CasNumber: 165806-95-1
MolecularFormula: C15H12FNO2S
MolecularWeight: 289.3246832
MdlNumber: MFCD03787932
Smiles: [C-]#[N+]C(S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)F
Complexity: 460
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.1
CatalogNumber:
AA88400
ChemicalName:
Alpha-(p-toluenesulfonyl)-4-fluorobenzylisonitrile
CasNumber:
165806-95-1
MolecularFormula:
C15H12FNO2S
MolecularWeight:
289.3246832
MdlNumber:
MFCD03787932
Smiles:
[C-]#[N+]C(S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)F
Complexity:
460
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.1
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Smiles: Fc1ccc(cc1)c1ncn(c1c1ccnc(n1)N)CC1CC1
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Smiles:
Fc1ccc(cc1)c1ncn(c1c1ccnc(n1)N)CC1CC1
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Smiles: CCCOC(=O)CCS
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Smiles:
CCCOC(=O)CCS
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: COC(=O)c1cc(C=O)ccc1F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(C=O)ccc1F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__