| CAS Number | 1379364-28-9 |
| Catalog Number | AG01BVUX |
| Chemical Name | 5-Bromo-3-iodo-2-methylbenzoic acid |
| IUPAC Name | 5-bromo-3-iodo-2-methylbenzoic acid |
| InChI | InChI=1S/C8H6BrIO2/c1-4-6(8(11)12)2-5(9)3-7(4)10/h2-3H,1H3,(H,11,12) |
| InChI Key | MEEJCTGTAAQGIF-UHFFFAOYSA-N |
| MDL Number | MFCD20526671 |
| Molecular Formula | C8H6BrIO2 |
| Molecular Weight | 340.9405 |
| SMILES | CC1=C(C(O)=O)C=C(Br)C=C1I |
| Synonyms | 5-bromo-3-iodo-2-methylbenzoic acid,
1379364-28-9,
SCHEMBL6777970,
ZINC93097631,
AKOS017975043,
Z2687203978,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.86g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.942g/mol |
| Monoisotopic Mass | 339.86g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number