4-(3-Chloro-5-fluorophenyl)phenylacetic acid - CAS 1334499-97-6
Catalog: |
BB069420 |
Product Name: |
4-(3-Chloro-5-fluorophenyl)phenylacetic acid |
CAS: |
1334499-97-6 |
Synonyms: |
4-(3-Chloro-5-fluorophenyl)phenylacetic acid; 2-(3'-Chloro-5'-fluoro-[1,1'-biphenyl]-4-yl)acetic acid; 2-[4-(3-chloro-5-fluorophenyl)phenyl]acetic acid; 2-(3'-Chloro-5'-fluoro-[1,1'-biphenyl]-4-yl)aceticacid |
IUPAC Name: | 2-[4-(3-chloro-5-fluorophenyl)phenyl]acetic acid |
Description: | 4-(3-Chloro-5-fluorophenyl)phenylacetic acid |
Molecular Weight: | 264.68 |
Molecular Formula: | C14H10ClFO2 |
Canonical SMILES: | C1=CC(=CC=C1CC(=O)O)C2=CC(=CC(=C2)Cl)F |
InChI: | InChI=1S/C14H10ClFO2/c15-12-6-11(7-13(16)8-12)10-3-1-9(2-4-10)5-14(17)18/h1-4,6-8H,5H2,(H,17,18) |
InChI Key: | KFFSYUUGAKFINH-UHFFFAOYSA-N |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.0353354 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.0353354 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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