| CAS Number | 1263274-74-3 |
| Catalog Number | AG01AF2P |
| Chemical Name | 4-Bromo-3-chloro-5-fluorobenzoic acid |
| IUPAC Name | 4-bromo-3-chloro-5-fluorobenzoic acid |
| InChI | InChI=1S/C7H3BrClFO2/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2H,(H,11,12) |
| InChI Key | FJCXNRXUXORNLD-UHFFFAOYSA-N |
| MDL Number | MFCD28954400 |
| Molecular Formula | C7H3BrClFO2 |
| Molecular Weight | 253.4529 |
| SMILES | c1(c(c(cc(c1)C(=O)O)F)Br)Cl |
| Synonyms | 4-Bromo-3-chloro-5-fluorobenzoic acid,
1263274-74-3,
ZINC89064514,
AKOS017552742,
Z2044769042,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.899g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.451g/mol |
| Monoisotopic Mass | 251.899g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number