| CAS Number | 1152531-91-3 |
| Catalog Number | AG01BF8O |
| Chemical Name | 3-(3-bromophenyl)-1,2-oxazole-5-carboxylic acid |
| IUPAC Name | 3-(3-bromophenyl)-1,2-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C10H6BrNO3/c11-7-3-1-2-6(4-7)8-5-9(10(13)14)15-12-8/h1-5H,(H,13,14) |
| InChI Key | MBSYMDMTPISSCQ-UHFFFAOYSA-N |
| MDL Number | MFCD10694147 |
| Molecular Formula | C10H6BrNO3 |
| Molecular Weight | 268.0635 |
| SMILES | OC(C1ON=C(C2=CC(Br)=CC=C2)C=1)=O |
| Synonyms | 3-(3-bromophenyl)-1,2-oxazole-5-carboxylic acid,
1152531-91-3,
ZINC34972842,
AKOS005204722,
Z2507870661,
3-(3-bromo-phenyl)-isoxazole-5-carboxylic acid,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.95311g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.06g/mol |
| Monoisotopic Mass | 266.95311g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number