4-(3-Chloro-5-fluorophenyl)-3-fluorobenzoic acid - CAS 1261970-29-9
Catalog: |
BB069417 |
Product Name: |
4-(3-Chloro-5-fluorophenyl)-3-fluorobenzoic acid |
CAS: |
1261970-29-9 |
Synonyms: |
4-(3-CHLORO-5-FLUOROPHENYL)-3-FLUOROBENZOIC ACID; 3'-Chloro-2,5'-difluoro-[1,1'-biphenyl]-4-carboxylic acid; 3/'-Chloro-2,5/'-difluoro-[1,1/'-biphenyl]-4-carboxylic acid; 3'-Chloro-2,5'-difluoro-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 4-(3-chloro-5-fluorophenyl)-3-fluorobenzoic acid |
Description: | 4-(3-Chloro-5-fluorophenyl)-3-fluorobenzoic acid |
Molecular Weight: | 268.64 |
Molecular Formula: | C13H7ClF2O2 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)F)C2=CC(=CC(=C2)Cl)F |
InChI: | InChI=1S/C13H7ClF2O2/c14-9-3-8(4-10(15)6-9)11-2-1-7(13(17)18)5-12(11)16/h1-6H,(H,17,18) |
InChI Key: | VLBASAJZSPEHPF-UHFFFAOYSA-N |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.0102635 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.0102635 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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