5-Chloro-3-(3,4-dichlorophenyl)benzoic acid - CAS 1261984-79-5
Catalog: |
BB069979 |
Product Name: |
5-Chloro-3-(3,4-dichlorophenyl)benzoic acid |
CAS: |
1261984-79-5 |
Synonyms: |
5-CHLORO-3-(3,4-DICHLOROPHENYL)BENZOIC ACID; 3-chloro-5-(3,4-dichlorophenyl)benzoic acid; 5-CHLORO-3-(3,4-DICHLOROPHENYL)BENZOICACID |
IUPAC Name: | 3-chloro-5-(3,4-dichlorophenyl)benzoic acid |
Description: | 5-Chloro-3-(3,4-dichlorophenyl)benzoic acid |
Molecular Weight: | 301.55 |
Molecular Formula: | C13H7Cl3O2 |
Canonical SMILES: | C1=CC(=C(C=C1C2=CC(=CC(=C2)Cl)C(=O)O)Cl)Cl |
InChI: | InChI=1S/C13H7Cl3O2/c14-10-4-8(3-9(5-10)13(17)18)7-1-2-11(15)12(16)6-7/h1-6H,(H,17,18) |
InChI Key: | RFBSGPNHCLXNKQ-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 |
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