| CAS Number | 192948-01-9 |
| Catalog Number | AG00AVAN(AGN-PC-07A993) |
| Chemical Name | 2-Methyl-7-benzothiazolecarboxylic acid methyl ester |
| IUPAC Name | methyl 2-methyl-1,3-benzothiazole-7-carboxylate |
| InChI | InChI=1S/C10H9NO2S/c1-6-11-8-5-3-4-7(9(8)14-6)10(12)13-2/h3-5H,1-2H3 |
| InChI Key | MJNXLPDXVUYYQG-UHFFFAOYSA-N |
| MDL Number | MFCD18417642 |
| Molecular Formula | C10H9NO2S |
| Molecular Weight | 207.2490 |
| SMILES | COC(=O)C1=C2SC(C)=NC2=CC=C1 |
| Synonyms | 192948-01-9,
2-Methyl-7-benzothiazolecarboxylic acid methyl ester,
Methyl 2-methyl-1,3-benzothiazole-7-carboxylate,
Methyl 2-methylbenzo[d]thiazole-7-carboxylate,
SCHEMBL543966,
MJNXLPDXVUYYQG-UHFFFAOYSA-N,
MFCD18417642,
ZINC45236472,
AS-54817,
Methyl 2-methylbenzothiazole-7-carboxylate,
CS-0037348,
7-Benzothiazolecarboxylic acid, 2-methyl-, methyl ester,
7-Benzothiazolecarboxylicacid,2-methyl-,methylester(9CI),
7-Benzothiazolecarboxylic acid, 2-methyl-, methyl ester (9CI),
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.247g/mol |
| Monoisotopic Mass | 207.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number