4-(Difluoromethoxy)benzoic acid - CAS 4837-20-1
Catalog: |
BB026530 |
Product Name: |
4-(Difluoromethoxy)benzoic acid |
CAS: |
4837-20-1 |
Synonyms: |
4-(difluoromethoxy)benzoic acid |
IUPAC Name: | 4-(difluoromethoxy)benzoic acid |
Description: | 4-(Difluoromethoxy)benzoic acid (CAS# 4837-20-1) is a useful research chemical. |
Molecular Weight: | 188.13 |
Molecular Formula: | C8H6F2O3 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)O)OC(F)F |
InChI: | InChI=1S/C8H6F2O3/c9-8(10)13-6-3-1-5(2-4-6)7(11)12/h1-4,8H,(H,11,12) |
InChI Key: | BSNNYLYELGBSBA-UHFFFAOYSA-N |
Boiling Point: | 272.1 ℃ at 760 mmHg |
Melting Point: | 169-171 ℃ |
Purity: | 95 % |
Density: | 1.371 g/cm3 |
Appearance: | White powder or crystals |
MDL: | MFCD00221454 |
LogP: | 1.98620 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021194908-A1 | Modified dipeptide cleavases, uses thereof and related kits | 20200324 |
US-2021214701-A1 | Modified cleavases, uses thereof and related kits | 20190326 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
TW-202028198-A | Monoacylglycerol lipase modulators | 20180928 |
Complexity: | 176 |
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: | 2.9 |
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