| CAS Number | 377059-68-2 |
| Catalog Number | AG01B2DN |
| Chemical Name | Methyl 3-(3-bromophenyl)-1,2-oxazole-5-carboxylate |
| IUPAC Name | methyl 3-(3-bromophenyl)-1,2-oxazole-5-carboxylate |
| InChI | InChI=1S/C11H8BrNO3/c1-15-11(14)10-6-9(13-16-10)7-3-2-4-8(12)5-7/h2-6H,1H3 |
| InChI Key | ULDKSOMTGPDKLB-UHFFFAOYSA-N |
| MDL Number | MFCD02982807 |
| Molecular Formula | C11H8BrNO3 |
| Molecular Weight | 282.0901 |
| SMILES | O=C(C1=CC(C2=CC=CC(Br)=C2)=NO1)OC |
| Synonyms | methyl 3-(3-bromophenyl)-1,2-oxazole-5-carboxylate,
377059-68-2,
AC1LFDXY,
HMS1609J14,
ZINC266321,
STL329307,
AKOS001597460,
MCULE-5836627573,
EU-0004341,
methyl 3-(3-bromophenyl)isoxazole-5-carboxylate,
CID776530,
ZINC00266321,
3-(3-bromo-phenyl)-isoxazole-5-carboxylic acid methyl ester,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.093g/mol |
| Monoisotopic Mass | 280.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number