3-[(2,4-Difluorophenoxy)methyl]benzoic acid - CAS 832739-54-5
Catalog: |
BB045699 |
Product Name: |
3-[(2,4-Difluorophenoxy)methyl]benzoic acid |
CAS: |
832739-54-5 |
Synonyms: |
3-(2,4-Difluoro-phenoxymethyl)-benzoic acid |
IUPAC Name: | 3-[(2,4-difluorophenoxy)methyl]benzoic acid |
Description: | 3-[(2,4-Difluorophenoxy)methyl]benzoic acid (CAS# 832739-54-5 ) is a useful research chemical. |
Molecular Weight: | 264.22 |
Molecular Formula: | C14H10F2O3 |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)O)COC2=C(C=C(C=C2)F)F |
InChI: | InChI=1S/C14H10F2O3/c15-11-4-5-13(12(16)7-11)19-8-9-2-1-3-10(6-9)14(17)18/h1-7H,8H2,(H,17,18) |
InChI Key: | JBNVLORKDVVMRT-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: | 264.0598005 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.0598005 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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