3,5-Difluoro-4-methoxybenzoic Acid - CAS 319-60-8
Catalog: |
BB021112 |
Product Name: |
3,5-Difluoro-4-methoxybenzoic Acid |
CAS: |
319-60-8 |
Synonyms: |
3,5-difluoro-4-methoxybenzoic acid; 3,5-difluoro-4-methoxybenzoic acid |
IUPAC Name: | 3,5-difluoro-4-methoxybenzoic acid |
Description: | 3,5-Difluoro-4-methoxybenzoic Acid (CAS# 319-60-8) is a useful research chemical. |
Molecular Weight: | 188.13 |
Molecular Formula: | C8H6F2O3 |
Canonical SMILES: | COC1=C(C=C(C=C1F)C(=O)O)F |
InChI: | InChI=1S/C8H6F2O3/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3H,1H3,(H,11,12) |
InChI Key: | YOWQTTYAQQPSHM-UHFFFAOYSA-N |
Boiling Point: | 286.4 °C at 760 mmHg |
Density: | 1.399 g/cm3 |
MDL: | MFCD01090994 |
LogP: | 1.67160 |
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 |
EP-3660003-A1 | Heterocyclic compound | 20170728 |
JP-WO2019022179-A1 | Heterocyclic compound | 20170728 |
WO-2019022179-A1 | Heterocyclic compounds | 20170728 |
US-2020231579-A1 | Heterocyclic compound | 20170728 |
EP-3535262-A1 | Novel tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis b virus infection | 20161103 |
Complexity: | 186 |
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: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS