3-(2-Fluoro-ethoxy)-benzoic acid - CAS 1365939-11-2
Catalog: |
BB050964 |
Product Name: |
3-(2-Fluoro-ethoxy)-benzoic acid |
CAS: |
1365939-11-2 |
Synonyms: |
Benzoic acid, 3-(2-fluoroethoxy)- |
IUPAC Name: | 3-(2-fluoroethoxy)benzoic acid |
Molecular Weight: | 184.16 |
Molecular Formula: | C9H9FO3 |
Canonical SMILES: | C1=CC(=CC(=C1)OCCF)C(=O)O |
InChI: | InChI=1S/C9H9FO3/c10-4-5-13-8-3-1-2-7(6-8)9(11)12/h1-3,6H,4-5H2,(H,11,12) |
InChI Key: | BKHUIZAHSLIHSE-UHFFFAOYSA-N |
Boiling Point: | 328.7±22.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.05357231 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.05357231 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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