2-(3-Chloro-5-fluorophenyl)benzoic acid - CAS 1261915-22-3
Catalog: |
BB069410 |
Product Name: |
2-(3-Chloro-5-fluorophenyl)benzoic acid |
CAS: |
1261915-22-3 |
Synonyms: |
2-(3-CHLORO-5-FLUOROPHENYL)BENZOIC ACID; 3'-Chloro-5'-fluoro-[1,1'-biphenyl]-2-carboxylic acid; 3/'-Chloro-5/'-fluoro-[1,1/'-biphenyl]-2-carboxylic acid; 3'-Chloro-5'-fluoro-[1,1'-biphenyl]-2-carboxylicacid |
IUPAC Name: | 2-(3-chloro-5-fluorophenyl)benzoic acid |
Description: | 2-(3-Chloro-5-fluorophenyl)benzoic acid |
Molecular Weight: | 250.65 |
Molecular Formula: | C13H8ClFO2 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=CC(=CC(=C2)Cl)F)C(=O)O |
InChI: | InChI=1S/C13H8ClFO2/c14-9-5-8(6-10(15)7-9)11-3-1-2-4-12(11)13(16)17/h1-7H,(H,16,17) |
InChI Key: | SYXWEQNEFAOHCG-UHFFFAOYSA-N |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.0196853 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.0196853 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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