3-Fluoro-5-(3-fluoropyridin-2-yl)benzoic acid - CAS 1365271-83-5
Catalog: |
BB065203 |
Product Name: |
3-Fluoro-5-(3-fluoropyridin-2-yl)benzoic acid |
CAS: |
1365271-83-5 |
Synonyms: |
3-Fluoro-5-(3-fluoropyridin-2-yl)benzoic acid; 3-FLUORO-5-(3-FLUOROPYRIDIN-2-YL)BENZOICACID |
IUPAC Name: | 3-fluoro-5-(3-fluoropyridin-2-yl)benzoic acid |
Description: | 3-Fluoro-5-(3-fluoropyridin-2-yl)benzoic acid |
Molecular Weight: | 235.19 |
Molecular Formula: | C12H7F2NO2 |
Canonical SMILES: | C1=CC(=C(N=C1)C2=CC(=CC(=C2)F)C(=O)O)F |
InChI: | InChI=1S/C12H7F2NO2/c13-9-5-7(4-8(6-9)12(16)17)11-10(14)2-1-3-15-11/h1-6H,(H,16,17) |
InChI Key: | XBHWTAHYZCUNLY-UHFFFAOYSA-N |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.04448479 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.04448479 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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