| CAS Number | 1218764-94-3 |
| Catalog Number | AG01A0VL(AGN-PC-0WO71Q) |
| Chemical Name | 2-Bromo-1-(dimethyl-1,3-oxazol-5-yl)ethan-1-one |
| IUPAC Name | 2-bromo-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone |
| InChI | InChI=1S/C7H8BrNO2/c1-4-7(6(10)3-8)11-5(2)9-4/h3H2,1-2H3 |
| InChI Key | QZVFTSMGCRLQDQ-UHFFFAOYSA-N |
| MDL Number | MFCD11656451 |
| Molecular Formula | C7H8BrNO2 |
| Molecular Weight | 218.0479 |
| SMILES | CC1OC(C(CBr)=O)=C(C)N=1 |
| Synonyms | 2-bromo-1-(dimethyl-1,3-oxazol-5-yl)ethan-1-one,
1218764-94-3,
SCHEMBL6122310,
QZVFTSMGCRLQDQ-UHFFFAOYSA-N,
SBB079199,
ZINC38548887,
AKOS017378860,
2-Bromo-1-(2,4-dimethyl-oxazol-5-yl)ethanone,
2-Bromo-1-(2,4-dimethyl-oxazol-5-yl)-ethanone,
1-(2,4-dimethyl(1,3-oxazol-5-yl))-2-bromoethan-1-one,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.05g/mol |
| Monoisotopic Mass | 216.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number