2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid - CAS 1261893-13-3
Catalog: |
BB069409 |
Product Name: |
2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid |
CAS: |
1261893-13-3 |
Synonyms: |
2-CHLORO-4-(3-FLUORO-4-METHYLPHENYL)BENZOIC ACID; 3-Chloro-3'-fluoro-4'-methyl-[1,1'-biphenyl]-4-carboxylic acid; 3-Chloro-3/'-fluoro-4/'-Methyl-[1,1/'-biphenyl]-4-carboxylic acid; 3-Chloro-3'-fluoro-4'-methyl-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 2-chloro-4-(3-fluoro-4-methylphenyl)benzoic acid |
Description: | 2-Chloro-4-(3-fluoro-4-methylphenyl)benzoic acid |
Molecular Weight: | 264.68 |
Molecular Formula: | C14H10ClFO2 |
Canonical SMILES: | CC1=C(C=C(C=C1)C2=CC(=C(C=C2)C(=O)O)Cl)F |
InChI: | InChI=1S/C14H10ClFO2/c1-8-2-3-10(7-13(8)16)9-4-5-11(14(17)18)12(15)6-9/h2-7H,1H3,(H,17,18) |
InChI Key: | XUTAVZFTNYZTEU-UHFFFAOYSA-N |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.0353354 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.0353354 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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