7-Chloro-3-methylbenzofuran-2-carboxylic Acid - CAS 32565-18-7
Catalog: |
BB021333 |
Product Name: |
7-Chloro-3-methylbenzofuran-2-carboxylic Acid |
CAS: |
32565-18-7 |
Synonyms: |
7-chloro-3-methyl-2-benzofurancarboxylic acid; 7-chloro-3-methyl-1-benzofuran-2-carboxylic acid |
IUPAC Name: | 7-chloro-3-methyl-1-benzofuran-2-carboxylic acid |
Description: | 7-Chloro-3-methylbenzofuran-2-carboxylic Acid (CAS# 32565-18-7) is a useful research chemical. |
Molecular Weight: | 210.61 |
Molecular Formula: | C10H7ClO3 |
Canonical SMILES: | CC1=C(OC2=C1C=CC=C2Cl)C(=O)O |
InChI: | InChI=1S/C10H7ClO3/c1-5-6-3-2-4-7(11)9(6)14-8(5)10(12)13/h2-4H,1H3,(H,12,13) |
InChI Key: | GIWYZUBCAKLCAJ-UHFFFAOYSA-N |
Boiling Point: | 362.8 °C at 760 mmHg |
LogP: | 3.09280 |
Publication Number | Title | Priority Date |
WO-2021123372-A1 | Novel compounds and their use | 20191219 |
AU-2012210718-A1 | Pyrazole compounds as CRTH2 antagonists | 20110124 |
AU-2012210718-B2 | Pyrazole compounds as CRTH2 antagonists | 20110124 |
CA-2825458-A1 | Pyrazole compounds as crth2 antagonists | 20110124 |
CN-103339125-B | Pyrazole compounds as CRTH2 antagonists | 20110124 |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.0083718 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.0083718 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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