| CAS Number | 923266-17-5 |
| Catalog Number | AG0067Z9(AGN-PC-0HG3AF) |
| Chemical Name | 4-Bromo-3-fluorocinnamic acid |
| IUPAC Name | (E)-3-(4-bromo-3-fluorophenyl)prop-2-enoic acid |
| 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 |
| MDL Number | MFCD10000928 |
| Molecular Formula | C9H6BrFO2 |
| Molecular Weight | 245.0451 |
| SMILES | O=C(O)/C=C/C1=CC=C(Br)C(F)=C1 |
| Synonyms | 3-(4-Bromo-3-fluorophenyl)acrylic acid,
4-Bromo-3-fluorocinnamic acid,
923266-17-5,
2-Propenoic acid, 3-(4-bromo-3-fluorophenyl)-,
SCHEMBL2571093,
ZINC82046440,
AKOS015999758,
FCH1397923,
FCH5401603,
BBV-40274030,
BBV-44251583,
AJ-124137,
AX8231566,
TC-128559,
ST24022555,
V9167,
C9H6BrFO2,
ACN-042074,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 243.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.047g/mol |
| Monoisotopic Mass | 243.954g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number