4-Bromo-3-fluorocinnamic acid - CAS 923266-17-5
Catalog: |
BB055321 |
Product Name: |
4-Bromo-3-fluorocinnamic acid |
CAS: |
923266-17-5 |
Synonyms: |
3-(4-Bromo-3-fluorophenyl)acrylic acid; 4-Bromo-3-fluorocinnamic acid; (E)-3-(4-bromo-3-fluorophenyl)prop-2-enoic acid; 3-(4-Bromo-3-fluorophenyl)prop-2-enoic acid; 3-(4-Bromo-3-fluorophenyl)acrylicacid |
IUPAC Name: | (E)-3-(4-bromo-3-fluorophenyl)prop-2-enoic acid |
Description: | 4-Bromo-3-fluorocinnamic acid |
Molecular Weight: | 245.05 |
Molecular Formula: | C9H6BrFO2 |
Canonical SMILES: | C1=CC(=C(C=C1C=CC(=O)O)F)Br |
InChI: | InChI=1S/C9H6BrFO2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+ |
InChI Key: | LHHBEQSDZPKXEI-DUXPYHPUSA-N |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 243.95352 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.95352 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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