2-Chloro-4-(3,5-dimethylphenyl)benzoic acid - CAS 884323-17-5
Catalog: |
BB062478 |
Product Name: |
2-Chloro-4-(3,5-dimethylphenyl)benzoic acid |
CAS: |
884323-17-5 |
Synonyms: |
2-chloro-4-(3,5-dimethylphenyl)benzoic Acid; 3-Chloro-3',5'-dimethyl-[1,1'-biphenyl]-4-carboxylic acid; 3-Chloro-3',5'-dimethyl-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 2-chloro-4-(3,5-dimethylphenyl)benzoic acid |
Description: | 2-Chloro-4-(3,5-dimethylphenyl)benzoic acid |
Molecular Weight: | 260.72 |
Molecular Formula: | C15H13ClO2 |
Canonical SMILES: | CC1=CC(=CC(=C1)C2=CC(=C(C=C2)C(=O)O)Cl)C |
InChI: | InChI=1S/C15H13ClO2/c1-9-5-10(2)7-12(6-9)11-3-4-13(15(17)18)14(16)8-11/h3-8H,1-2H3,(H,17,18) |
InChI Key: | WNPIQYRMRNJDCX-UHFFFAOYSA-N |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.0604073 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.0604073 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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