2-Chloro-4-(3,4-difluorophenyl)benzoic acid - CAS 1261956-79-9
Catalog: |
BB069920 |
Product Name: |
2-Chloro-4-(3,4-difluorophenyl)benzoic acid |
CAS: |
1261956-79-9 |
Synonyms: |
2-CHLORO-4-(3,4-DIFLUOROPHENYL)BENZOIC ACID; 3-Chloro-3',4'-difluoro-[1,1'-biphenyl]-4-carboxylic acid; 3-Chloro-3',4'-difluoro-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 2-chloro-4-(3,4-difluorophenyl)benzoic acid |
Description: | 2-Chloro-4-(3,4-difluorophenyl)benzoic acid |
Molecular Weight: | 268.64 |
Molecular Formula: | C13H7ClF2O2 |
Canonical SMILES: | C1=CC(=C(C=C1C2=CC(=C(C=C2)F)F)Cl)C(=O)O |
InChI: | InChI=1S/C13H7ClF2O2/c14-10-5-7(1-3-9(10)13(17)18)8-2-4-11(15)12(16)6-8/h1-6H,(H,17,18) |
InChI Key: | SPJCVBACFLZVGJ-UHFFFAOYSA-N |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.0102635 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.0102635 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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