| CAS Number | 1519109-81-9 |
| Catalog Number | AG01BCT1 |
| Chemical Name | 2-Bromo-5-chloro-4-fluorobenzoic acid |
| IUPAC Name | 2-bromo-5-chloro-4-fluorobenzoic acid |
| InChI | InChI=1S/C7H3BrClFO2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12) |
| InChI Key | JLSKSLOMXATFGD-UHFFFAOYSA-N |
| MDL Number | MFCD24108577 |
| Molecular Formula | C7H3BrClFO2 |
| Molecular Weight | 253.4529 |
| SMILES | C1=C(C(=CC(=C1Cl)F)Br)C(=O)O |
| Synonyms | 2-Bromo-5-chloro-4-fluorobenzoic acid,
1519109-81-9,
AKOS020024673,
ZINC162580648,
Z2235409206,
|
| 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