2-Fluoro-3-(trifluoromethoxy)cinnamic acid - CAS 1381952-85-7
Catalog: |
BB064807 |
Product Name: |
2-Fluoro-3-(trifluoromethoxy)cinnamic acid |
CAS: |
1381952-85-7 |
Synonyms: |
2-Fluoro-3-(trifluoromethoxy)cinnamic acid; 3-(2-Fluoro-3-(trifluoromethoxy)phenyl)acrylic acid; (E)-3-[2-fluoro-3-(trifluoromethoxy)phenyl]prop-2-enoic acid |
IUPAC Name: | (E)-3-[2-fluoro-3-(trifluoromethoxy)phenyl]prop-2-enoic acid |
Description: | 2-Fluoro-3-(trifluoromethoxy)cinnamic acid |
Molecular Weight: | 250.15 |
Molecular Formula: | C10H6F4O3 |
Canonical SMILES: | C1=CC(=C(C(=C1)OC(F)(F)F)F)C=CC(=O)O |
InChI: | InChI=1S/C10H6F4O3/c11-9-6(4-5-8(15)16)2-1-3-7(9)17-10(12,13)14/h1-5H,(H,15,16)/b5-4+ |
InChI Key: | DECZRPAXCLEWDV-SNAWJCMRSA-N |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 250.0253067 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.0253067 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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