| CAS Number | 1314649-82-5 |
| Catalog Number | AG01B9WY |
| Chemical Name | 1-(3-Bromo-5-Fluorophenyl)Cyclopropane-1-Carboxylic Acid |
| IUPAC Name | 1-(3-bromo-5-fluorophenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C10H8BrFO2/c11-7-3-6(4-8(12)5-7)10(1-2-10)9(13)14/h3-5H,1-2H2,(H,13,14) |
| InChI Key | SAGGTUFHVPMZII-UHFFFAOYSA-N |
| MDL Number | MFCD19692972 |
| Molecular Formula | C10H8BrFO2 |
| Molecular Weight | 259.0717 |
| SMILES | BrC=1C=C(C=C(C1)F)C1(CC1)C(=O)O |
| Synonyms | 1-(3-bromo-5-fluorophenyl)cyclopropane-1-carboxylic acid,
1314649-82-5,
ZINC84610704,
AKOS023469822,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.074g/mol |
| Monoisotopic Mass | 257.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number