| CAS Number | 90251-23-3 |
| Catalog Number | AG00H6GF(AGN-PC-07AAQZ) |
| Chemical Name | 2-Chloro-1-(isoxazol-3-yl)ethanone |
| IUPAC Name | 2-chloro-1-(1,2-oxazol-3-yl)ethanone |
| InChI | InChI=1S/C5H4ClNO2/c6-3-5(8)4-1-2-9-7-4/h1-2H,3H2 |
| InChI Key | OBDLJTHEFWKHEB-UHFFFAOYSA-N |
| MDL Number | MFCD23844956 |
| Molecular Formula | C5H4ClNO2 |
| Molecular Weight | 145.5438 |
| SMILES | ClCC(=O)c1ccon1 |
| Synonyms | 90251-23-3,
Ethanone, 2-chloro-1-(3-isoxazolyl)-,
CTK3I2973,
DTXSID50664075,
ZINC39054720,
2-Chloro-1-(isoxazol-3-yl)ethanone,
AKOS018709128,
2-Chloro-1-(1,2-oxazol-3-yl)ethanone,
2-Chloro-1-(1,2-oxazol-3-yl)ethan-1-one,
Ethanone,2-chloro-1- -,
Ethanone, 2-chloro-1-(3-isoxazolyl)- (9CI),
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.542g/mol |
| Monoisotopic Mass | 144.993g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number