| CAS Number | 752135-41-4 |
| Catalog Number | AG00ICMA(AGN-PC-0WD609) |
| Chemical Name | 7-Chloro-3-Methylbenzo[b]Thiophene-2-Carboxylic Acid |
| IUPAC Name | 7-chloro-3-methyl-1-benzothiophene-2-carboxylic acid |
| InChI | InChI=1S/C10H7ClO2S/c1-5-6-3-2-4-7(11)9(6)14-8(5)10(12)13/h2-4H,1H3,(H,12,13) |
| InChI Key | JXEJPBOIKNNLQX-UHFFFAOYSA-N |
| MDL Number | MFCD11104814 |
| Molecular Formula | C10H7ClO2S |
| Molecular Weight | 226.6794 |
| SMILES | O=C(C1=C(C)C2=CC=CC(Cl)=C2S1)O |
| Synonyms | 7-CHLORO-3-METHYLBENZO[B]THIOPHENE-2-CARBOXYLIC ACID,
752135-41-4,
SCHEMBL2897560,
JXEJPBOIKNNLQX-UHFFFAOYSA-N,
MFCD11104814,
ZINC34975087,
AJ-90544,
AS-42849,
7-chloro-3-methyl-1-benzothiophene-2-carboxylic acid,
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| 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
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Certificate of Analysis
Lot Number