4-(2,3-Difluorophenyl)-3-fluorobenzoic acid - CAS 1261625-13-1
Catalog: |
BB055798 |
Product Name: |
4-(2,3-Difluorophenyl)-3-fluorobenzoic acid |
CAS: |
1261625-13-1 |
Synonyms: |
4-(2,3-DIFLUOROPHENYL)-3-FLUOROBENZOIC ACID; 2,2',3'-Trifluoro-[1,1'-biphenyl]-4-carboxylic acid; 2,2',3'-Trifluoro-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 4-(2,3-difluorophenyl)-3-fluorobenzoic acid |
Description: | 4-(2,3-Difluorophenyl)-3-fluorobenzoic acid |
Molecular Weight: | 252.19 |
Molecular Formula: | C13H7F3O2 |
Canonical SMILES: | C1=CC(=C(C(=C1)F)F)C2=C(C=C(C=C2)C(=O)O)F |
InChI: | InChI=1S/C13H7F3O2/c14-10-3-1-2-9(12(10)16)8-5-4-7(13(17)18)6-11(8)15/h1-6H,(H,17,18) |
InChI Key: | BKXIDFKKKOGSDA-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: | 252.03981395 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.03981395 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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