4-(3,5-Dichlorophenyl)-2-fluorobenzoic acid - CAS 1261913-97-6
Catalog: |
BB063048 |
Product Name: |
4-(3,5-Dichlorophenyl)-2-fluorobenzoic acid |
CAS: |
1261913-97-6 |
Synonyms: |
4-(3,5-DICHLOROPHENYL)-2-FLUOROBENZOIC ACID; 3',5'-Dichloro-3-fluoro-[1,1'-biphenyl]-4-carboxylic acid; 3',5'-Dichloro-3-fluoro-[1,1'-biphenyl]-4-carboxylicacid; 3',5'-Dichloro-3-fluoro-biphenyl-4-carboxylic acid |
IUPAC Name: | 4-(3,5-dichlorophenyl)-2-fluorobenzoic acid |
Description: | 4-(3,5-Dichlorophenyl)-2-fluorobenzoic acid |
Molecular Weight: | 285.1 |
Molecular Formula: | C13H7Cl2FO2 |
Canonical SMILES: | C1=CC(=C(C=C1C2=CC(=CC(=C2)Cl)Cl)F)C(=O)O |
InChI: | InChI=1S/C13H7Cl2FO2/c14-9-3-8(4-10(15)6-9)7-1-2-11(13(17)18)12(16)5-7/h1-6H,(H,17,18) |
InChI Key: | CIUZWPYCVSZJKR-UHFFFAOYSA-N |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.980713 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.980713 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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