| CAS Number | 104988-43-4 |
| Catalog Number | AG00HAK5(AGN-PC-00O7U1) |
| Chemical Name | 4-(Chloromethyl)-5-methyl-1,2-oxazole |
| IUPAC Name | 4-(chloromethyl)-5-methyl-1,2-oxazole |
| InChI | InChI=1S/C5H6ClNO/c1-4-5(2-6)3-7-8-4/h3H,2H2,1H3 |
| InChI Key | OAPPWKBQKZMFCB-UHFFFAOYSA-N |
| MDL Number | MFCD19232563 |
| Molecular Formula | C5H6ClNO |
| Molecular Weight | 131.5602 |
| SMILES | CC1=C(CCl)C=NO1 |
| Synonyms | 4-(Chloromethyl)-5-methylisoxazole,
104988-43-4,
4-Chloromethyl-5-methyl-isoxazole,
4-(chloromethyl)-5-methyl-1,2-oxazole,
SCHEMBL3311478,
OAPPWKBQKZMFCB-UHFFFAOYSA-N,
ZINC34168289,
AKOS006386144,
NE28196,
Isoxazole, 4-(chloromethyl)-5-methyl-,
AJ-87277,
SY197419,
X3761,
MFCD19232563 (95%),
F8880-4164,
C5H6ClNO,
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| Complexity | 78.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.559g/mol |
| Monoisotopic Mass | 131.014g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number