3-(difluoromethoxy)benzoic acid - CAS 4837-19-8
Catalog: |
BB026529 |
Product Name: |
3-(difluoromethoxy)benzoic acid |
CAS: |
4837-19-8 |
Synonyms: |
3-(difluoromethoxy)benzoic acid; 3-(difluoromethoxy)benzoic acid |
IUPAC Name: | 3-(difluoromethoxy)benzoic acid |
Description: | 3-(difluoromethoxy)benzoic acid (CAS# 4837-19-8) is a useful research chemical. |
Molecular Weight: | 188.13 |
Molecular Formula: | C8H6F2O3 |
Canonical SMILES: | C1=CC(=CC(=C1)OC(F)F)C(=O)O |
InChI: | InChI=1S/C8H6F2O3/c9-8(10)13-6-3-1-2-5(4-6)7(11)12/h1-4,8H,(H,11,12) |
InChI Key: | OKKDGIXOKWOMRD-UHFFFAOYSA-N |
Boiling Point: | 287.3 °C at 760 mmHg |
Density: | 1.37 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00236224 |
LogP: | 1.98620 |
GHS Hazard Statement: | H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020153432-A1 | Amino acid compound | 20190124 |
TW-202043240-A | Amino acid compound | 20190124 |
WO-2019168874-A1 | Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same | 20180227 |
US-2021032181-A1 | Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same | 20180227 |
WO-2019154949-A1 | Fused thiophene derivatives and their uses | 20180208 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.02850037 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.02850037 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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