| CAS Number | 923255-38-3 |
| Catalog Number | AG018SC0(AGN-PC-0WBPW7) |
| Chemical Name | 2-Chloro-N-(3-methylisoxazol-5-yl)propanamide |
| IUPAC Name | 2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide |
| InChI | InChI=1S/C7H9ClN2O2/c1-4-3-6(12-10-4)9-7(11)5(2)8/h3,5H,1-2H3,(H,9,11) |
| InChI Key | DMJOCQUVYRWOHI-UHFFFAOYSA-N |
| MDL Number | MFCD08691254 |
| Molecular Formula | C7H9ClN2O2 |
| Molecular Weight | 188.6116 |
| SMILES | CC(C(NC1ON=C(C)C=1)=O)Cl |
| Synonyms | 923255-38-3,
2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide,
2-chloro-N-(3-methylisoxazol-5-yl)propanamide,
2-Chloro-N-(3-methyl-isoxazol-5-yl)-propionamide,
AC1Q2AWB,
CTK7F4365,
3279AF,
SBB085404,
AKOS000302054,
AKOS016346844,
MCULE-5476293842,
NE14002,
TR-056905,
EN300-26234,
F8889-7504,
C7H9ClN2O2,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.611g/mol |
| Monoisotopic Mass | 188.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number