| CAS Number | 857081-41-5 |
| Catalog Number | AG00G98I(AGN-PC-0F5PUL) |
| Chemical Name | 5-CHLORO-2-BENZOTHIAZOLECARBOXYLIC ACID ETHYL ESTER |
| IUPAC Name | ethyl 5-chloro-1,3-benzothiazole-2-carboxylate |
| InChI | InChI=1S/C10H8ClNO2S/c1-2-14-10(13)9-12-7-5-6(11)3-4-8(7)15-9/h3-5H,2H2,1H3 |
| InChI Key | KPTUAFHCIKMODW-UHFFFAOYSA-N |
| MDL Number | MFCD11217323 |
| Molecular Formula | C10H8ClNO2S |
| Molecular Weight | 241.6940 |
| SMILES | ClC=1C=CC2=C(N=C(S2)C(=O)OCC)C1 |
| Synonyms | 857081-41-5,
ethyl 5-chloro-1,3-benzothiazole-2-carboxylate,
SCHEMBL3614648,
CHEMBL3797976,
KPTUAFHCIKMODW-UHFFFAOYSA-N,
ZINC71009230,
AKOS012662528,
DA-33766,
FT-0705949,
5-chloro-benzothiazole-2-carboxylic acid ethyl ester,
Z2230911842,
5-CHLORO-2-BENZOTHIAZOLECARBOXYLIC ACID ETHYL ESTER,
ethyl 5-chlorobenzo[d]thiazole-2-carboxylate,
5-CHLORO-2-BENZOTHIAZOLECARBOXYLICACIDETHYLESTER,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.996427g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.69g/mol |
| Monoisotopic Mass | 240.996427g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number