| CAS Number | 1260422-02-3 |
| Catalog Number | AG00HIST(AGN-PC-0WG47B) |
| Chemical Name | 5-(4-Bromo-2-Methoxy-Phenyl)-2-Methyl-Oxazole |
| IUPAC Name | 5-(4-bromo-2-methoxyphenyl)-2-methyl-1,3-oxazole |
| InChI | InChI=1S/C11H10BrNO2/c1-7-13-6-11(15-7)9-4-3-8(12)5-10(9)14-2/h3-6H,1-2H3 |
| InChI Key | DQGVCOHUPAFUHN-UHFFFAOYSA-N |
| MDL Number | MFCD28674721 |
| Molecular Formula | C11H10BrNO2 |
| Molecular Weight | 268.1066 |
| SMILES | COc1cc(Br)ccc1-c1cnc(C)o1 |
| Synonyms | 1260422-02-3,
5-(4-BROMO-2-METHOXY-PHENYL)-2-METHYL-OXAZOLE,
5-(4-Bromo-2-methoxyphenyl)-2-methyloxazole,
Oxazole, 5-(4-bromo-2-methoxyphenyl)-2-methyl-,
SCHEMBL157353,
DQGVCOHUPAFUHN-UHFFFAOYSA-N,
MFCD28674721,
ZINC113225636,
TZ000579,
5-(4-bromo-2-methoxyphenyl)-2-methyl-1,3-oxazole,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.11g/mol |
| Monoisotopic Mass | 266.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number