C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)Cl
CAS: 2991-42-6
Name: 4-(trifluoromethyl)benzenesulfonyl chloride
SMILES: C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)Cl

Molecular Processing

Molecular formula
C7H4ClF3O2S
Molecular weight
244.62
Exact mass
243.9573
XLogP
2.63
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
44.48

Supplementary Information

InChIKey: OZDCZHDOIBUGAJ-UHFFFAOYSA-N
Synonyme
4-(Trifluoromethyl)benzenesulfonyl chloride2991-42-6DTXSID50380506RefChem:97588DTXCID90331532628-503-64-(trifluoromethyl)benzene-1-sulfonyl chlorideMFCD000424224-(trifluoromethyl)benzenesulfonylchloride4-trifluoromethylbenzenesulfonyl chloridep-trifluoromethylbenzenesulfonyl chloride4-trifluoromethylbenzene sulfonyl chloridep-(trifluoromethyl)benzenesulfonyl chlorideBenzenesulfonyl chloride, 4-(trifluoromethyl)-4-(trifluoromethyl)phenylsulfonyl chloride4-(trifluoromethyl)benzenesulfonic acid chlorideSCHEMBL61336AC-805CK2502SBB063004AKOS0014238364-trifluoromethylbenzenesulfonylchloride4-trifluoromethylphenylsulfonyl chloride4-TrifluoromethylphenylsulphonylchlorideCS-W003966FT10629p-trifluoromethylphenylsulfonyl chloride4-Trifluoromethylphenylsulphonyl chloride4-trifluoromethyl benzensulfonyl chloride4-trifluoromethyl-phenyl sulfonylchloride
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