5-Chloro-3-(2,4-dichlorophenyl)benzoic acid - CAS 1261911-18-5
Catalog: |
BB069974 |
Product Name: |
5-Chloro-3-(2,4-dichlorophenyl)benzoic acid |
CAS: |
1261911-18-5 |
Synonyms: |
5-CHLORO-3-(2,4-DICHLOROPHENYL)BENZOIC ACID; 3-chloro-5-(2,4-dichlorophenyl)benzoic acid; 5-CHLORO-3-(2,4-DICHLOROPHENYL)BENZOICACID; 2',4',5-Trichloro[1,1'-biphenyl]-3-carboxylic acid |
IUPAC Name: | 3-chloro-5-(2,4-dichlorophenyl)benzoic acid |
Description: | 5-Chloro-3-(2,4-dichlorophenyl)benzoic acid |
Molecular Weight: | 301.55 |
Molecular Formula: | C13H7Cl3O2 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)Cl)C2=CC(=CC(=C2)Cl)C(=O)O |
InChI: | InChI=1S/C13H7Cl3O2/c14-9-1-2-11(12(16)6-9)7-3-8(13(17)18)5-10(15)4-7/h1-6H,(H,17,18) |
InChI Key: | BTQGANSTEJPECJ-UHFFFAOYSA-N |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.951163 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.951163 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.5 |
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