2-Bromo-1-methanesulfonyl-4-(trifluoromethoxy)benzene - CAS 1445322-50-8
Catalog: |
BB071405 |
Product Name: |
2-Bromo-1-methanesulfonyl-4-(trifluoromethoxy)benzene |
CAS: |
1445322-50-8 |
Synonyms: |
2-Bromo-1-methanesulfonyl-4-(trifluoromethoxy)benzene; 2-bromo-1-methylsulfonyl-4-(trifluoromethoxy)benzene; Benzene, 2-bromo-1-(methylsulfonyl)-4-(trifluoromethoxy)- |
IUPAC Name: | 2-bromo-1-methylsulfonyl-4-(trifluoromethoxy)benzene |
Description: | 2-Bromo-1-methanesulfonyl-4-(trifluoromethoxy)benzene |
Molecular Weight: | 319.09 |
Molecular Formula: | C8H6BrF3O3S |
Canonical SMILES: | CS(=O)(=O)C1=C(C=C(C=C1)OC(F)(F)F)Br |
InChI: | InChI=1S/C8H6BrF3O3S/c1-16(13,14)7-3-2-5(4-6(7)9)15-8(10,11)12/h2-4H,1H3 |
InChI Key: | PVBDKHOYTORIOG-UHFFFAOYSA-N |
Complexity: | 335 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.91731 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 317.91731 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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