4-(4-Chlorophenyl)-3-methylbenzoic acid - CAS 849239-85-6
Catalog: |
BB069628 |
Product Name: |
4-(4-Chlorophenyl)-3-methylbenzoic acid |
CAS: |
849239-85-6 |
Synonyms: |
4'-Chloro-2-methyl-[1,1'-biphenyl]-4-carboxylic acid; 4-(4-CHLOROPHENYL)-3-METHYLBENZOIC ACID; 4'-Chloro-2-methyl-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 4-(4-chlorophenyl)-3-methylbenzoic acid |
Description: | 4-(4-Chlorophenyl)-3-methylbenzoic acid |
Molecular Weight: | 246.69 |
Molecular Formula: | C14H11ClO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C14H11ClO2/c1-9-8-11(14(16)17)4-7-13(9)10-2-5-12(15)6-3-10/h2-8H,1H3,(H,16,17) |
InChI Key: | MPNRRVPAQIKJIW-UHFFFAOYSA-N |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.0447573 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.0447573 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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