| CAS Number | 95312-27-9 |
| Catalog Number | AG019XEO(AGN-PC-00ME2B) |
| Chemical Name | methyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate |
| IUPAC Name | methyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate |
| InChI | InChI=1S/C6H6BrNO3/c1-10-6(9)5-2-4(3-7)11-8-5/h2H,3H2,1H3 |
| InChI Key | ARDHGTWSZBQZMX-UHFFFAOYSA-N |
| MDL Number | MFCD11975679 |
| Molecular Formula | C6H6BrNO3 |
| Molecular Weight | 220.0207 |
| SMILES | BrCC1=CC(=NO1)C(=O)OC |
| Synonyms | 95312-27-9,
methyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate,
METHYL 5-(BROMOMETHYL)ISOXAZOLE-3-CARBOXYLATE,
3-Isoxazolecarboxylic acid, 5-(bromomethyl)-, methyl ester,
SCHEMBL5243287,
ZINC39626163,
AKOS026726768,
CS-W000435,
NE15362,
SC-14548,
EN300-54804,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.022g/mol |
| Monoisotopic Mass | 218.953g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number