| CAS Number | 1529288-48-9 |
| Catalog Number | AG01B945(AGN-PC-0WGGNT) |
| Chemical Name | 2-bromo-5-chloro-3-fluorobenzoic acid |
| IUPAC Name | 2-bromo-5-chloro-3-fluorobenzoic acid |
| InChI | InChI=1S/C7H3BrClFO2/c8-6-4(7(11)12)1-3(9)2-5(6)10/h1-2H,(H,11,12) |
| InChI Key | GEOZTDMJJUWEGK-UHFFFAOYSA-N |
| MDL Number | MFCD24119836 |
| Molecular Formula | C7H3BrClFO2 |
| Molecular Weight | 253.4529 |
| SMILES | OC(C1=C(Br)C(F)=CC(Cl)=C1)=O |
| Synonyms | 2-Bromo-5-chloro-3-fluorobenzoic acid,
1529288-48-9,
AKOS020096617,
ZINC155674789,
Z2010041955,
|
| 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