| CAS Number | 66490-32-2 |
| Catalog Number | AG00IBLV |
| Chemical Name | 6-Chloro-3-methylbenzo[b]thiophene-2-carboxylic acid |
| IUPAC Name | 6-chloro-3-methyl-1-benzothiophene-2-carboxylic acid |
| InChI | InChI=1S/C10H7ClO2S/c1-5-7-3-2-6(11)4-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13) |
| InChI Key | QEINRGCVGFKPIW-UHFFFAOYSA-N |
| MDL Number | MFCD22490519 |
| Molecular Formula | C10H7ClO2S |
| Molecular Weight | 226.6794 |
| SMILES | Cc1c2ccc(cc2sc1C(=O)O)Cl |
| Synonyms | 6-CHLORO-3-METHYLBENZO[B]THIOPHENE-2-CARBOXYLIC ACID,
66490-32-2,
SCHEMBL12153769,
MFCD22490519,
ZINC95835715,
AKOS024171798,
AS-42361,
DA-41753,
FT-0725411,
X-2485,
Benzo[b]thiophene-2-carboxylic acid, 6-chloro-3-methyl-,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.674g/mol |
| Monoisotopic Mass | 225.986g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number