| CAS Number | 1820704-53-7 |
| Catalog Number | AG00I0WW(AGN-PC-0WR7EZ) |
| Chemical Name | methyl 2-amino-5-bromo-1,3-benzoxazole-7-carboxylate |
| IUPAC Name | methyl 2-amino-5-bromo-1,3-benzoxazole-7-carboxylate |
| InChI | InChI=1S/C9H7BrN2O3/c1-14-8(13)5-2-4(10)3-6-7(5)15-9(11)12-6/h2-3H,1H3,(H2,11,12) |
| InChI Key | KPXSDEYSYMBUDY-UHFFFAOYSA-N |
| MDL Number | MFCD27936870 |
| Molecular Formula | C9H7BrN2O3 |
| Molecular Weight | 271.0675 |
| SMILES | COC(=O)c1cc(Br)cc2c1oc(n2)N |
| Synonyms | METHYL 2-AMINO-5-BROMO-1,3-BENZOXAZOLE-7-CARBOXYLATE,
1820704-53-7,
ZINC97757405,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.07g/mol |
| Monoisotopic Mass | 269.964g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number