2-Fluoro-4-(3-fluoro-4-methylphenyl)benzoic acid - CAS 1261961-48-1
Catalog: |
BB065199 |
Product Name: |
2-Fluoro-4-(3-fluoro-4-methylphenyl)benzoic acid |
CAS: |
1261961-48-1 |
Synonyms: |
2-FLUORO-4-(3-FLUORO-4-METHYLPHENYL)BENZOIC ACID; 3,3'-Difluoro-4'-methyl-[1,1'-biphenyl]-4-carboxylic acid; 3,3/'-Difluoro-4/'-Methyl-[1,1/'-biphenyl]-4-carboxylic acid; 3,3'-Difluoro-4'-methyl-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 2-fluoro-4-(3-fluoro-4-methylphenyl)benzoic acid |
Description: | 2-Fluoro-4-(3-fluoro-4-methylphenyl)benzoic acid |
Molecular Weight: | 248.23 |
Molecular Formula: | C14H10F2O2 |
Canonical SMILES: | CC1=C(C=C(C=C1)C2=CC(=C(C=C2)C(=O)O)F)F |
InChI: | InChI=1S/C14H10F2O2/c1-8-2-3-9(6-12(8)15)10-4-5-11(14(17)18)13(16)7-10/h2-7H,1H3,(H,17,18) |
InChI Key: | HSMVFYUWQXPAPI-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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