| CAS Number | 1187318-52-0 |
| Catalog Number | AG0091NU |
| Chemical Name | 3-BROMO-5-FLUORO-2-METHYLBENZOIC ACID |
| IUPAC Name | 3-bromo-5-fluoro-2-methylbenzoic acid |
| InChI | InChI=1S/C8H6BrFO2/c1-4-6(8(11)12)2-5(10)3-7(4)9/h2-3H,1H3,(H,11,12) |
| InChI Key | AAKUFRPQXGQYHN-UHFFFAOYSA-N |
| MDL Number | MFCD19440362 |
| Molecular Formula | C8H6BrFO2 |
| Molecular Weight | 233.0344 |
| SMILES | Fc1cc(Br)c(c(c1)C(=O)O)C |
| Synonyms | 3-bromo-5-fluoro-2-methylbenzoic acid,
1187318-52-0,
SCHEMBL286599,
AAKUFRPQXGQYHN-UHFFFAOYSA-N,
MFCD19440362,
AKOS017557939,
3-bromo-5-fluoro-2-methyl-benzoic acid,
CS-0059674,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.036g/mol |
| Monoisotopic Mass | 231.954g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number