1-Bromo-4-methanesulfonyl-2-(trifluoromethyl)benzene - CAS 1820711-75-8
Catalog: |
BB062132 |
Product Name: |
1-Bromo-4-methanesulfonyl-2-(trifluoromethyl)benzene |
CAS: |
1820711-75-8 |
Synonyms: |
1-Bromo-4-methanesulfonyl-2-(trifluoromethyl)benzene; 1-bromo-4-methylsulfonyl-2-(trifluoromethyl)benzene; 1-Bromo-4-(methylsulfonyl)-2-(trifluoromethyl)benzene; Benzene, 1-bromo-4-(methylsulfonyl)-2-(trifluoromethyl)- |
IUPAC Name: | 1-bromo-4-methylsulfonyl-2-(trifluoromethyl)benzene |
Description: | 1-Bromo-4-methanesulfonyl-2-(trifluoromethyl)benzene |
Molecular Weight: | 303.1 |
Molecular Formula: | C8H6BrF3O2S |
Canonical SMILES: | CS(=O)(=O)C1=CC(=C(C=C1)Br)C(F)(F)F |
InChI: | InChI=1S/C8H6BrF3O2S/c1-15(13,14)5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3 |
InChI Key: | FCIUGRGSXGMRCH-UHFFFAOYSA-N |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.9224 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.9224 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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