| CAS Number | 108773-00-8 |
| Catalog Number | AG0091LB(AGN-PC-0KBJMM) |
| Chemical Name | Benzothiazole, 2-chloro-4-methoxy-7-methyl- (9CI) |
| IUPAC Name | 2-chloro-4-methoxy-7-methyl-1,3-benzothiazole |
| InChI | InChI=1S/C9H8ClNOS/c1-5-3-4-6(12-2)7-8(5)13-9(10)11-7/h3-4H,1-2H3 |
| InChI Key | USZSQTQJFWIVLM-UHFFFAOYSA-N |
| MDL Number | MFCD04971832 |
| Molecular Formula | C9H8ClNOS |
| Molecular Weight | 213.6839 |
| SMILES | COC1C2=C(SC(Cl)=N2)C(C)=CC=1 |
| Synonyms | 108773-00-8,
2-chloro-4-methoxy-7-methyl-1,3-benzothiazole,
2-Chloro-4-methoxy-7-methyl-benzothiazole,
2-chloro-4-methoxy-7-methylbenzothiazole,
AC1M1HAR,
DTXSID60365965,
ZINC2455720,
AKOS005208112,
MCULE-7598084788,
benzothiazole,2-chloro-4-methoxy-7-methyl-,
L-4876,
F1910-0029,
ZINC02455720,
CID2049881,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.679g/mol |
| Monoisotopic Mass | 213.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number