AI45858
252561-92-5 | 4-(Methylsulphonyl)-3-(trifluoromethyl)aniline
Manufacturer: A2B Chem
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CatalogNumber
AI45858
ChemicalName
4-(Methylsulphonyl)-3-(trifluoromethyl)aniline
CasNumber
252561-92-5
MolecularFormula
C8H8F3NO2S
MolecularWeight
239.2148
MdlNumber
MFCD12807191
Smiles
Nc1ccc(c(c1)C(F)(F)F)S(=O)(=O)C
Complexity
320
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AI45858
ChemicalName: 4-(Methylsulphonyl)-3-(trifluoromethyl)aniline
CasNumber: 252561-92-5
MolecularFormula: C8H8F3NO2S
MolecularWeight: 239.2148
MdlNumber: MFCD12807191
Smiles: Nc1ccc(c(c1)C(F)(F)F)S(=O)(=O)C
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AI45858
ChemicalName:
4-(Methylsulphonyl)-3-(trifluoromethyl)aniline
CasNumber:
252561-92-5
MolecularFormula:
C8H8F3NO2S
MolecularWeight:
239.2148
MdlNumber:
MFCD12807191
Smiles:
Nc1ccc(c(c1)C(F)(F)F)S(=O)(=O)C
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: AI45859
ChemicalName: 4-Methanesulfonyl-2-methyl-1-nitrobenzene
CasNumber: 252561-99-2
MolecularFormula: C8H9NO4S
MolecularWeight: 215.2264
MdlNumber: MFCD12407099
Smiles: [O-][N+](=O)c1ccc(cc1C)S(=O)(=O)C
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AI45859
ChemicalName:
4-Methanesulfonyl-2-methyl-1-nitrobenzene
CasNumber:
252561-99-2
MolecularFormula:
C8H9NO4S
MolecularWeight:
215.2264
MdlNumber:
MFCD12407099
Smiles:
[O-][N+](=O)c1ccc(cc1C)S(=O)(=O)C
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1nc(Cl)nc(=N)[nH]1)(F)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1nc(Cl)nc(=N)[nH]1)(F)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CCN(CC1)c1ccc(cn1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1CCN(CC1)c1ccc(cn1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__