| CAS Number | 1239758-91-8 |
| Catalog Number | AG01A8EP(AGN-PC-0WO54E) |
| Chemical Name | 2-(5-Chloro-3-methyl-1,2-oxazol-4-yl)acetic acid |
| IUPAC Name | 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetic acid |
| InChI | InChI=1S/C6H6ClNO3/c1-3-4(2-5(9)10)6(7)11-8-3/h2H2,1H3,(H,9,10) |
| InChI Key | NQYMIIDHCSQYER-UHFFFAOYSA-N |
| MDL Number | MFCD16547370 |
| Molecular Formula | C6H6ClNO3 |
| Molecular Weight | 175.5697 |
| SMILES | CC1C(CC(O)=O)=C(Cl)ON=1 |
| Synonyms | 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetic acid,
1239758-91-8,
AC1Q2Q9K,
ZINC45930317,
AKOS008153155,
MCULE-1807861761,
NE30905,
EN300-61452,
Z993967022,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.568g/mol |
| Monoisotopic Mass | 175.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number