2-(5-Chloro-2-methoxyphenyl)-5-fluorobenzoic acid - CAS 1178334-17-2
Catalog: |
BB069563 |
Product Name: |
2-(5-Chloro-2-methoxyphenyl)-5-fluorobenzoic acid |
CAS: |
1178334-17-2 |
Synonyms: |
2-(5-CHLORO-2-METHOXYPHENYL)-5-FLUOROBENZOIC ACID; 2-(5-CHLORO-2-METHOXYPHENYL)-5-FLUOROBENZOICACID; 5'-Chloro-4-fluoro-2'-methoxy[1,1'-biphenyl]-2-carboxylic acid |
IUPAC Name: | 2-(5-chloro-2-methoxyphenyl)-5-fluorobenzoic acid |
Description: | 2-(5-Chloro-2-methoxyphenyl)-5-fluorobenzoic acid |
Molecular Weight: | 280.68 |
Molecular Formula: | C14H10ClFO3 |
Canonical SMILES: | COC1=C(C=C(C=C1)Cl)C2=C(C=C(C=C2)F)C(=O)O |
InChI: | InChI=1S/C14H10ClFO3/c1-19-13-5-2-8(15)6-11(13)10-4-3-9(16)7-12(10)14(17)18/h2-7H,1H3,(H,17,18) |
InChI Key: | VCIPYGUHTGZRPW-UHFFFAOYSA-N |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.03025 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.03025 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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