5-Fluoro-3-(5-fluoro-2-methylphenyl)benzoic acid - CAS 1261988-06-0
Catalog: |
BB065202 |
Product Name: |
5-Fluoro-3-(5-fluoro-2-methylphenyl)benzoic acid |
CAS: |
1261988-06-0 |
Synonyms: |
5,5'-Difluoro-2'-methyl-[1,1'-biphenyl]-3-carboxylic acid; 5-FLUORO-3-(5-FLUORO-2-METHYLPHENYL)BENZOIC ACID; 3-fluoro-5-(5-fluoro-2-methylphenyl)benzoic acid; 5,5/'-Difluoro-2/'-Methyl-[1,1/'-biphenyl]-3-carboxylic acid; 5,5'-Difluoro-2'-methyl-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 3-fluoro-5-(5-fluoro-2-methylphenyl)benzoic acid |
Description: | 5-Fluoro-3-(5-fluoro-2-methylphenyl)benzoic acid |
Molecular Weight: | 248.23 |
Molecular Formula: | C14H10F2O2 |
Canonical SMILES: | CC1=C(C=C(C=C1)F)C2=CC(=CC(=C2)F)C(=O)O |
InChI: | InChI=1S/C14H10F2O2/c1-8-2-3-11(15)7-13(8)9-4-10(14(17)18)6-12(16)5-9/h2-7H,1H3,(H,17,18) |
InChI Key: | ZNGWROUAZSNRRF-UHFFFAOYSA-N |
Complexity: | 308 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.06488588 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.06488588 |
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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