Cas no 178049-85-9 (Benzenesulfonyl chloride, 3,6-difluoro-2-methyl-)
178049-85-9 structure
Product Name:Benzenesulfonyl chloride, 3,6-difluoro-2-methyl-
CAS No:178049-85-9
MF:C7H5ClF2O2S
MW:226.628206968307
CID:3816841
PubChem ID:22910420
Update Time:2025-04-22
Benzenesulfonyl chloride, 3,6-difluoro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl chloride, 3,6-difluoro-2-methyl-
- 178049-85-9
- 3,6-difluoro-2-methylbenzenesulfonyl chloride
- SCHEMBL8412750
-
- Inchi： 1S/C7H5ClF2O2S/c1-4-5(9)2-3-6(10)7(4)13(8,11)12/h2-3H,1H3
- InChI Key： ACKOYHXMVFUCHJ-UHFFFAOYSA-N
- SMILES： C1(S(Cl)(=O)=O)=C(F)C=CC(F)=C1C
Computed Properties
- Exact Mass: 225.9666846Da
- Monoisotopic Mass: 225.9666846Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 275
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 42.5?2
Benzenesulfonyl chloride, 3,6-difluoro-2-methyl- Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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