3-(2-Chloro-5-hydroxyphenyl)-2-methylbenzoic acid - CAS 1261946-22-8
Catalog: |
BB069689 |
Product Name: |
3-(2-Chloro-5-hydroxyphenyl)-2-methylbenzoic acid |
CAS: |
1261946-22-8 |
Synonyms: |
3-(2-CHLORO-5-HYDROXYPHENYL)-2-METHYLBENZOIC ACID; 3-(2-CHLORO-5-HYDROXYPHENYL)-2-METHYLBENZOICACID; 2'-Chloro-5'-hydroxy-2-methyl[1,1'-biphenyl]-3-carboxylic acid |
IUPAC Name: | 3-(2-chloro-5-hydroxyphenyl)-2-methylbenzoic acid |
Description: | 3-(2-Chloro-5-hydroxyphenyl)-2-methylbenzoic acid |
Molecular Weight: | 262.69 |
Molecular Formula: | C14H11ClO3 |
Canonical SMILES: | CC1=C(C=CC=C1C(=O)O)C2=C(C=CC(=C2)O)Cl |
InChI: | InChI=1S/C14H11ClO3/c1-8-10(3-2-4-11(8)14(17)18)12-7-9(16)5-6-13(12)15/h2-7,16H,1H3,(H,17,18) |
InChI Key: | IKXZFFSKUCRXOB-UHFFFAOYSA-N |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.0396719 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.0396719 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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