2-Chloro-4-(3-chlorophenyl)benzoic acid - CAS 1261981-20-7
Catalog: |
BB069583 |
Product Name: |
2-Chloro-4-(3-chlorophenyl)benzoic acid |
CAS: |
1261981-20-7 |
Synonyms: |
2-CHLORO-4-(3-CHLOROPHENYL)BENZOIC ACID; 3,3'-Dichloro-[1,1'-biphenyl]-4-carboxylic acid; 3,3'-Dichloro-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 2-chloro-4-(3-chlorophenyl)benzoic acid |
Description: | 2-Chloro-4-(3-chlorophenyl)benzoic acid |
Molecular Weight: | 267.11 |
Molecular Formula: | C13H8Cl2O2 |
Canonical SMILES: | C1=CC(=CC(=C1)Cl)C2=CC(=C(C=C2)C(=O)O)Cl |
InChI: | InChI=1S/C13H8Cl2O2/c14-10-3-1-2-8(6-10)9-4-5-11(13(16)17)12(15)7-9/h1-7H,(H,16,17) |
InChI Key: | BGIBPEJPVAVIQS-UHFFFAOYSA-N |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.9901349 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.9901349 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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