5-Chloro-2-fluoro-4-methylbenzoic Acid - CAS 1263274-67-4
Catalog: |
BB055634 |
Product Name: |
5-Chloro-2-fluoro-4-methylbenzoic Acid |
CAS: |
1263274-67-4 |
Synonyms: |
5-Chloro-2-fluoro-4-methylbenzoic acid; 5-Chloro-2-fluoro-4-methyl-benzoic acid |
IUPAC Name: | 5-chloro-2-fluoro-4-methylbenzoic acid |
Description: | 5-Chloro-2-fluoro-4-methylbenzoic Acid (cas# 1263274-67-4) is a useful reagent for the preparation of oxodihydropyridazine derivative as NaV inhibitor, which is useful for treating pain-related diseases. |
Molecular Weight: | 188.58 |
Molecular Formula: | C8H6O2FCl |
Canonical SMILES: | CC1=CC(=C(C=C1Cl)C(=O)O)F |
InChI: | InChI=1S/C8H6ClFO2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3H,1H3,(H,11,12) |
InChI Key: | YNXLNFQOANWRQC-UHFFFAOYSA-N |
References: | Yang, F., et al. PCT Int. Appl. (2020), WO 2020140959 A1. |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.0040353 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.0040353 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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