| CAS Number | 1805575-76-1 |
| Catalog Number | AG01FHA2(AGN-PC-3H4ANF) |
| Chemical Name | 2-Bromo-3-chloro-6-fluorobenzoic acid |
| IUPAC Name | 2-bromo-3-chloro-6-fluorobenzoic acid |
| InChI | InChI=1S/C7H3BrClFO2/c8-6-3(9)1-2-4(10)5(6)7(11)12/h1-2H,(H,11,12) |
| InChI Key | UQHJOINDFUKSMZ-UHFFFAOYSA-N |
| MDL Number | MFCD28141929 |
| Molecular Formula | C7H3BrClFO2 |
| Molecular Weight | 253.4529 |
| SMILES | BrC1=C(C(=O)O)C(=CC=C1Cl)F |
| Synonyms | 2-Bromo-3-chloro-6-fluorobenzoic acid,
1805575-76-1,
MFCD28141929,
ZINC258739945,
FCH2903710,
PC501768,
PS-10142,
FT-0700888,
|
| 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 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number