| CAS Number | 924862-18-0 |
| Catalog Number | AG00H21F(AGN-PC-0WAZFU) |
| Chemical Name | Methyl 2-(chloromethyl)-1,3-benzoxazole-5-carboxylate |
| IUPAC Name | methyl 2-(chloromethyl)-1,3-benzoxazole-5-carboxylate |
| InChI | InChI=1S/C10H8ClNO3/c1-14-10(13)6-2-3-8-7(4-6)12-9(5-11)15-8/h2-4H,5H2,1H3 |
| InChI Key | RQZPYCDYMVRMSC-UHFFFAOYSA-N |
| MDL Number | MFCD08689722 |
| Molecular Formula | C10H8ClNO3 |
| Molecular Weight | 225.6284 |
| SMILES | COC(C1=CC2=C(OC(=N2)CCl)C=C1)=O |
| Synonyms | Methyl 2-(chloromethyl)-1,3-benzoxazole-5-carboxylate,
924862-18-0,
Methyl 2-(chloromethyl)benzo[d]oxazole-5-carboxylate,
SCHEMBL15913286,
CTK6J0394,
ZINC8729966,
ZX-AT012427,
MFCD08689722,
SBB096878,
AKOS005072699,
FA-0826,
OR14137,
RP13023,
KS-0000250B,
AJ-58948,
TR-064715,
methyl 2-(chloromethyl)benzoxazole-5-carboxylate,
5-Benzoxazolecarboxylic acid, 2-(chloromethyl)-, methyl ester,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.628g/mol |
| Monoisotopic Mass | 225.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number