AI43858
1951441-73-8 | 4-Methanesulfonyl-2-(trifluoromethyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI43858
ChemicalName
4-Methanesulfonyl-2-(trifluoromethyl)benzonitrile
CasNumber
1951441-73-8
MolecularFormula
C9H6F3NO2S
MolecularWeight
249.2096
MdlNumber
MFCD29764394
Smiles
N#Cc1ccc(cc1C(F)(F)F)S(=O)(=O)C
Complexity
401
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AI43858
ChemicalName: 4-Methanesulfonyl-2-(trifluoromethyl)benzonitrile
CasNumber: 1951441-73-8
MolecularFormula: C9H6F3NO2S
MolecularWeight: 249.2096
MdlNumber: MFCD29764394
Smiles: N#Cc1ccc(cc1C(F)(F)F)S(=O)(=O)C
Complexity: 401
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AI43858
ChemicalName:
4-Methanesulfonyl-2-(trifluoromethyl)benzonitrile
CasNumber:
1951441-73-8
MolecularFormula:
C9H6F3NO2S
MolecularWeight:
249.2096
MdlNumber:
MFCD29764394
Smiles:
N#Cc1ccc(cc1C(F)(F)F)S(=O)(=O)C
Complexity:
401
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: AI43859
ChemicalName: N-Methyl-1-(3-(trifluoromethyl)pyridin-2-yl)methanamine hydrochloride
CasNumber: 1951441-74-9
MolecularFormula: C8H10ClF3N2
MolecularWeight: 226.6266
MdlNumber: MFCD27997463
Smiles: CNCc1ncccc1C(F)(F)F.Cl
Complexity: 158
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AI43859
ChemicalName:
N-Methyl-1-(3-(trifluoromethyl)pyridin-2-yl)methanamine hydrochloride
CasNumber:
1951441-74-9
MolecularFormula:
C8H10ClF3N2
MolecularWeight:
226.6266
MdlNumber:
MFCD27997463
Smiles:
CNCc1ncccc1C(F)(F)F.Cl
Complexity:
158
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCc1cccc(n1)OC.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCc1cccc(n1)OC.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc(cc1S(=O)(=O)C)S(=O)(=O)C
Complexity: 500
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc(cc1S(=O)(=O)C)S(=O)(=O)C
Complexity:
500
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.1