| CAS Number | 1289007-84-6 |
| Catalog Number | AG01FH8Q(AGN-PC-3H4AN4) |
| Chemical Name | 2-Bromo-5-formylbenzoic acid |
| IUPAC Name | 2-bromo-5-formylbenzoic acid |
| InChI | InChI=1S/C8H5BrO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-4H,(H,11,12) |
| InChI Key | KXPWKTRXWVQFGM-UHFFFAOYSA-N |
| MDL Number | MFCD26855793 |
| Molecular Formula | C8H5BrO3 |
| Molecular Weight | 229.0275 |
| SMILES | O=CC1=CC=C(Br)C(=C1)C(=O)O |
| Synonyms | 2-Bromo-5-formylbenzoic acid,
1289007-84-6,
MFCD26855793,
AKOS024226829,
ZINC131922644,
PS-11635,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.029g/mol |
| Monoisotopic Mass | 227.942g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number