5-Bromo-2-(trifluoromethoxy)cinnamic acid - CAS 1381952-88-0
Catalog: |
BB071491 |
Product Name: |
5-Bromo-2-(trifluoromethoxy)cinnamic acid |
CAS: |
1381952-88-0 |
Synonyms: |
3-(5-Bromo-2-(trifluoromethoxy)phenyl)acrylic acid; 5-Bromo-2-(trifluoromethoxy)cinnamic acid; (E)-3-[5-bromo-2-(trifluoromethoxy)phenyl]prop-2-enoic acid; 3-(5-Bromo-2-(trifluoromethoxy)phenyl)acrylicacid |
IUPAC Name: | (E)-3-[5-bromo-2-(trifluoromethoxy)phenyl]prop-2-enoic acid |
Description: | 5-Bromo-2-(trifluoromethoxy)cinnamic acid |
Molecular Weight: | 311.05 |
Molecular Formula: | C10H6BrF3O3 |
Canonical SMILES: | C1=CC(=C(C=C1Br)C=CC(=O)O)OC(F)(F)F |
InChI: | InChI=1S/C10H6BrF3O3/c11-7-2-3-8(17-10(12,13)14)6(5-7)1-4-9(15)16/h1-5H,(H,15,16)/b4-1+ |
InChI Key: | YKDNHKRIBXNWGZ-DAFODLJHSA-N |
Complexity: | 304 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 309.94524 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 309.94524 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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