| CAS Number | 1424352-59-9 |
| Catalog Number | AG01C592(AGN-PC-0WD3JW) |
| Chemical Name | Methyl 2-(2-chlorothiazol-5-yl)acetate |
| IUPAC Name | methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate |
| InChI | InChI=1S/C6H6ClNO2S/c1-10-5(9)2-4-3-8-6(7)11-4/h3H,2H2,1H3 |
| InChI Key | CBPLXMRGVOZYDK-UHFFFAOYSA-N |
| MDL Number | MFCD27922982 |
| Molecular Formula | C6H6ClNO2S |
| Molecular Weight | 191.6353 |
| SMILES | O=C(OC)CC1=CN=C(Cl)S1 |
| Synonyms | Methyl 2-(2-chlorothiazol-5-yl)acetate,
1424352-59-9,
methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate,
SCHEMBL15581574,
DTXSID30857004,
MFCD27922982,
ZINC95830529,
AKOS022174298,
AK139070,
AJ-134670,
Methyl (2-chloro-1,3-thiazol-5-yl)acetate,
5-Thiazoleacetic acid, 2-chloro-, methyl ester,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.629g/mol |
| Monoisotopic Mass | 190.981g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number