1-{[(Chloromethyl)sulfonyl]methyl}-3-(trifluoromethyl)benzene

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Basic information

CAS: 15893-96-6
Standard SMILES: O=S(=O)(CCl)Cc1cccc(C(F)(F)F)c1
InChIKey: PBIGNZVNPUGUGQ-UHFFFAOYSA-N
Molecular formula: C9H8ClF3O2S
Average molar mass: 272.67 g/mol
Monoisotopic mass: 271.9885628

Names & identifiers

Preferred name: 1-{[(Chloromethyl)sulfonyl]methyl}-3-(trifluoromethyl)benzene
IUPAC: 1-(chloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene
English name: Benzene,1-[[(chloromethyl)sulfonyl]methyl]-3-(trifluoromethyl)-
Molecular formula: C9H8ClF3O2S
Molecular weight: 272.6718296

Names & synonyms

15893-96-61-{[(chloromethyl)sulfonyl]methyl}-3-(trifluoromethyl)benzene1-[[(CHLOROMETHYL)SULFONYL]METHYL]-3-(TRIFLUOROMETHYL)BENZENENSC135360DTXSID50300204AKOS024329237NSC-1353601-[(Chloromethanesulfonyl)methyl]-3-(trifluoromethyl)benzeneBenzene,1-[[(chloromethyl)sulfonyl]methyl]-3-(trifluoromethyl)-

Database identifiers

CAS: 15893-96-6
PubChem CID: 282180
DTXSID: DTXSID50300204

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 321

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Compound notes

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