2-[(3-Fluorophenoxy)methyl]benzoic Acid - CAS 114312-47-9
Catalog: |
BB003383 |
Product Name: |
2-[(3-Fluorophenoxy)methyl]benzoic Acid |
CAS: |
114312-47-9 |
Synonyms: |
2-[(3-fluorophenoxy)methyl]benzoic acid; 2-[(3-fluorophenoxy)methyl]benzoic acid |
IUPAC Name: | 2-[(3-fluorophenoxy)methyl]benzoic acid |
Description: | 2-[(3-Fluorophenoxy)methyl]benzoic Acid (CAS# 114312-47-9 ) is a useful research chemical. |
Molecular Weight: | 246.23 |
Molecular Formula: | C14H11FO3 |
Canonical SMILES: | C1=CC=C(C(=C1)COC2=CC(=CC=C2)F)C(=O)O |
InChI: | InChI=1S/C14H11FO3/c15-11-5-3-6-12(8-11)18-9-10-4-1-2-7-13(10)14(16)17/h1-8H,9H2,(H,16,17) |
InChI Key: | MRHZIOQBQSNKPJ-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 3.10290 |
Publication Number | Title | Priority Date |
CN-103874697-A | Dibenzooxepin derivative | 20110803 |
CA-2608889-A1 | Dibenzocycloheptane compounds and pharmaceuticals containing these compounds | 20050512 |
CN-101223153-A | Dibenzocycloheptane compounds and pharmaceuticals containingthese compounds | 20050512 |
DE-102005022020-A1 | Dibenzocycloheptane compounds and pharmaceutical agents containing these compounds | 20050512 |
EP-1881968-A2 | Dibenzocycloheptane compounds and pharmaceuticals containing these compounds | 20050512 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.06922237 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.06922237 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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