3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid - CAS 34576-92-6
Catalog: |
BB022186 |
Product Name: |
3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid |
CAS: |
34576-92-6 |
Synonyms: |
3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid |
IUPAC Name: | 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid |
Description: | 3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid (CAS# 34576-92-6) is a useful research chemical. |
Molecular Weight: | 230.64 |
Molecular Formula: | C9H4ClFO2S |
Canonical SMILES: | C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)O |
InChI: | InChI=1S/C9H4ClFO2S/c10-7-5-2-1-4(11)3-6(5)14-8(7)9(12)13/h1-3H,(H,12,13) |
InChI Key: | HSRSWUJIPYUCSE-UHFFFAOYSA-N |
Boiling Point: | 398.2 °C at 760 mmHg |
Purity: | 97+ % (HPLC) |
MDL: | MFCD00228531 |
LogP: | 3.39200 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021024536-A1 | Bckdk inhibitors | 20190628 |
US-2021087204-A1 | Bckdk inhibitors | 20190628 |
WO-2020261205-A1 | Thieno[3,2-b]thiophene-2-carboxylic acid compounds having bckdk inhibiting activity | 20190628 |
US-11059833-B2 | BCKDK inhibitors | 20190628 |
WO-2019246102-A1 | Compositions and methods for treating nafld/nash and related disease phenotypes | 20180618 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.9604564 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.9604564 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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