| CAS Number | 668971-60-6 |
| Catalog Number | AG00FLPE(AGN-PC-05OVO7) |
| Chemical Name | 5-(2-bromophenyl)-1,2-oxazole-3-carboxylic acid |
| IUPAC Name | 5-(2-bromophenyl)-1,2-oxazole-3-carboxylic acid |
| InChI | InChI=1S/C10H6BrNO3/c11-7-4-2-1-3-6(7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14) |
| InChI Key | STNYQQXPSDJBQB-UHFFFAOYSA-N |
| MDL Number | MFCD07377265 |
| Molecular Formula | C10H6BrNO3 |
| Molecular Weight | 268.0635 |
| SMILES | OC(C1=NOC(C2=C(Br)C=CC=C2)=C1)=O |
| Synonyms | 668971-60-6,
5-(2-bromophenyl)isoxazole-3-carboxylic acid,
5-(2-bromophenyl)-1,2-oxazole-3-carboxylic acid,
SCHEMBL6818792,
CTK8J9439,
DTXSID70652792,
MFCD07377265,
ZINC26420314,
AKOS005207596,
3-isoxazolecarboxylic acid,5-(2-bromophenyl)-,
5-(2-Bromo-phenyl)-isoxazole-3-carboxylic acid,
F1967-0242,
5- -3-ISOXAZOLECARBOXYLICACID,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.066g/mol |
| Monoisotopic Mass | 266.953g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number