3-Methyl-4-(3-trifluoromethylphenyl)benzoic acid - CAS 1008773-97-4
Catalog: |
BB059271 |
Product Name: |
3-Methyl-4-(3-trifluoromethylphenyl)benzoic acid |
CAS: |
1008773-97-4 |
Synonyms: |
3-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)BENZOIC ACID; 2-Methyl-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid; 3-methyl-4-[3-(trifluoromethyl)phenyl]benzoic acid |
IUPAC Name: | 3-methyl-4-[3-(trifluoromethyl)phenyl]benzoic acid |
Description: | 3-Methyl-4-(3-trifluoromethylphenyl)benzoic acid |
Molecular Weight: | 280.24 |
Molecular Formula: | C15H11F3O2 |
Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)O)C2=CC(=CC=C2)C(F)(F)F |
InChI: | InChI=1S/C15H11F3O2/c1-9-7-11(14(19)20)5-6-13(9)10-3-2-4-12(8-10)15(16,17)18/h2-8H,1H3,(H,19,20) |
InChI Key: | LCVZKPOQZIJLSS-UHFFFAOYSA-N |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.07111408 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.07111408 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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