| CAS Number | 1065074-27-2 |
| Catalog Number | AG003RWG(AGN-PC-07XU31) |
| Chemical Name | Methyl 5-(3-chlorophenyl)isoxazole-4-carboxylate |
| IUPAC Name | methyl 5-(3-chlorophenyl)-1,2-oxazole-4-carboxylate |
| InChI | InChI=1S/C11H8ClNO3/c1-15-11(14)9-6-13-16-10(9)7-3-2-4-8(12)5-7/h2-6H,1H3 |
| InChI Key | IQMQZQIJFOAHQN-UHFFFAOYSA-N |
| MDL Number | MFCD11504883 |
| Molecular Formula | C11H8ClNO3 |
| Molecular Weight | 237.6391 |
| SMILES | O=C(C1=C(C2=CC=CC(Cl)=C2)ON=C1)OC |
| Synonyms | METHYL 5-(3-CHLOROPHENYL)ISOXAZOLE-4-CARBOXYLATE,
1065074-27-2,
methyl 5-(3-chlorophenyl)-1,2-oxazole-4-carboxylate,
ACMC-2098kg,
CTK4A4574,
DTXSID20674727,
ANW-15374,
MFCD11504883,
ZINC38537179,
AKOS015848987,
RTR-001279,
AJ-95944,
AX8231213,
TR-001279,
ST24025393,
Z6869,
A-4379,
I14-25278,
C11H8ClNO3,
METHYL5-(3-CHLOROPHENYL)ISOXAZOLE-4-CARBOXYLATE,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.639g/mol |
| Monoisotopic Mass | 237.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number