2-Bromo-5-fluoro-4-methylbenzenesulfonyl Chloride - CAS 874801-51-1
Catalog: |
BB038481 |
Product Name: |
2-Bromo-5-fluoro-4-methylbenzenesulfonyl Chloride |
CAS: |
874801-51-1 |
Synonyms: |
2-bromo-5-fluoro-4-methylbenzenesulfonyl chloride; 2-bromo-5-fluoro-4-methylbenzenesulfonyl chloride |
IUPAC Name: | 2-bromo-5-fluoro-4-methylbenzenesulfonyl chloride |
Description: | 2-Bromo-5-fluoro-4-methylbenzenesulfonyl Chloride (CAS# 874801-51-1 ) is a useful research chemical. |
Molecular Weight: | 287.53 |
Molecular Formula: | C7H5BrClFO2S |
Canonical SMILES: | CC1=CC(=C(C=C1F)S(=O)(=O)Cl)Br |
InChI: | InChI=1S/C7H5BrClFO2S/c1-4-2-5(8)7(3-6(4)10)13(9,11)12/h2-3H,1H3 |
InChI Key: | CWCXUKIDOCEUJH-UHFFFAOYSA-N |
MDL: | MFCD05664921 |
LogP: | 3.90490 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.88662 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.88662 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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