AI33487
1383827-77-7 | 2-Methanesulfonyl-4-(trifluoromethyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI33487
ChemicalName
2-Methanesulfonyl-4-(trifluoromethyl)benzonitrile
CasNumber
1383827-77-7
MolecularFormula
C9H6F3NO2S
MolecularWeight
249.2096
MdlNumber
MFCD28385202
Smiles
N#Cc1ccc(cc1S(=O)(=O)C)C(F)(F)F
Complexity
401
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AI33487
ChemicalName: 2-Methanesulfonyl-4-(trifluoromethyl)benzonitrile
CasNumber: 1383827-77-7
MolecularFormula: C9H6F3NO2S
MolecularWeight: 249.2096
MdlNumber: MFCD28385202
Smiles: N#Cc1ccc(cc1S(=O)(=O)C)C(F)(F)F
Complexity: 401
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AI33487
ChemicalName:
2-Methanesulfonyl-4-(trifluoromethyl)benzonitrile
CasNumber:
1383827-77-7
MolecularFormula:
C9H6F3NO2S
MolecularWeight:
249.2096
MdlNumber:
MFCD28385202
Smiles:
N#Cc1ccc(cc1S(=O)(=O)C)C(F)(F)F
Complexity:
401
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCOC(=O)c1oc2c(c1)c(Cl)ccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
CCOC(=O)c1oc2c(c1)c(Cl)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)O)OC(C)(C)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:
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MdlNumber:
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Smiles:
O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: c1ncc(cn1)CNc1ccccn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
c1ncc(cn1)CNc1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__