| CAS Number | 1194354-14-7 |
| Catalog Number | AG01FR37(AGN-PC-3H5PF4) |
| Chemical Name | 3-Bromo-2-(bromomethyl)benzoic acid |
| IUPAC Name | 3-bromo-2-(bromomethyl)benzoic acid |
| InChI | InChI=1S/C8H6Br2O2/c9-4-6-5(8(11)12)2-1-3-7(6)10/h1-3H,4H2,(H,11,12) |
| InChI Key | JQKPSTMLUCQGTF-UHFFFAOYSA-N |
| MDL Number | MFCD11847530 |
| Molecular Formula | C8H6Br2O2 |
| Molecular Weight | 293.94 |
| SMILES | |
| Synonyms | 3-BROMO-2-(BROMOMETHYL)BENZOIC ACID,
1194354-14-7,
SCHEMBL2727816,
ZINC125137195,
SC-33517,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.87141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.94g/mol |
| Monoisotopic Mass | 291.87345g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number