| CAS Number | 1289208-00-9 |
| Catalog Number | AG01FH8P(AGN-PC-3H4AN0) |
| Chemical Name | 2-Bromo-3-Formylbenzoic Acid |
| IUPAC Name | 2-bromo-3-formylbenzoic acid |
| InChI | InChI=1S/C8H5BrO3/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-4H,(H,11,12) |
| InChI Key | VBVNRCZTFKBHRM-UHFFFAOYSA-N |
| MDL Number | MFCD28357159 |
| Molecular Formula | C8H5BrO3 |
| Molecular Weight | 229.0275 |
| SMILES | BrC1=C(C(=O)O)C=CC=C1C=O |
| Synonyms | 2-BROMO-3-FORMYLBENZOIC ACID,
1289208-00-9,
SCHEMBL12760731,
MFCD28357159,
ZINC220820796,
FCH3833566,
OR400743,
PS-11639,
|
| 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 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number