3-(4-Chlorophenyl)-2-methylbenzoic acid - CAS 1261930-53-3
Catalog: |
BB069543 |
Product Name: |
3-(4-Chlorophenyl)-2-methylbenzoic acid |
CAS: |
1261930-53-3 |
Synonyms: |
3-(4-CHLOROPHENYL)-2-METHYLBENZOIC ACID; 4'-Chloro-2-methyl-[1,1'-biphenyl]-3-carboxylic acid; 4'-Chloro-2-methyl-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 3-(4-chlorophenyl)-2-methylbenzoic acid |
Description: | 3-(4-Chlorophenyl)-2-methylbenzoic acid |
Molecular Weight: | 246.69 |
Molecular Formula: | C14H11ClO2 |
Canonical SMILES: | CC1=C(C=CC=C1C(=O)O)C2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C14H11ClO2/c1-9-12(3-2-4-13(9)14(16)17)10-5-7-11(15)8-6-10/h2-8H,1H3,(H,16,17) |
InChI Key: | IOANQHIWHOQHRC-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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