3-Bromo-5-fluorobenzene-1-sulfonyl Chloride - CAS 1214342-44-5
Catalog: |
BB071753 |
Product Name: |
3-Bromo-5-fluorobenzene-1-sulfonyl Chloride |
CAS: |
1214342-44-5 |
Synonyms: |
3-Bromo-5-fluorobenzene-1-sulfonyl chloride; 3-Bromo-5-fluorobenzenesulfonyl chloride; 3-Bromo-5-Fluorophenylsulfonyl Chloride |
IUPAC Name: | 3-bromo-5-fluorobenzenesulfonyl chloride |
Molecular Weight: | 273.51 |
Molecular Formula: | C6H3BrClFO2S |
Canonical SMILES: | C1=C(C=C(C=C1S(=O)(=O)Cl)Br)F |
InChI: | InChI=1S/C6H3BrClFO2S/c7-4-1-5(9)3-6(2-4)12(8,10)11/h1-3H |
InChI Key: | HZJBQCUMWMMHMK-UHFFFAOYSA-N |
References: | Cheng, Z., et al. PCT Int. Appl. (2016), WO 2016177655 A1 20161110. |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.87097 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.87097 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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