3-Chloro-5-fluoro-4-methoxybenzaldehyde - CAS 177994-49-9
Catalog: |
BB013368 |
Product Name: |
3-Chloro-5-fluoro-4-methoxybenzaldehyde |
CAS: |
177994-49-9 |
Synonyms: |
3-chloro-5-fluoro-4-methoxybenzaldehyde; 3-chloro-5-fluoro-4-methoxybenzaldehyde |
IUPAC Name: | 3-chloro-5-fluoro-4-methoxybenzaldehyde |
Description: | 3-Chloro-5-fluoro-4-methoxybenzaldehyde (CAS# 177994-49-9) is a useful research chemical. |
Molecular Weight: | 188.58 |
Molecular Formula: | C8H6ClFO2 |
Canonical SMILES: | COC1=C(C=C(C=C1Cl)C=O)F |
InChI: | InChI=1S/C8H6ClFO2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-4H,1H3 |
InChI Key: | HILNMKBXNYUXIJ-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD04115863 |
LogP: | 2.30020 |
Publication Number | Title | Priority Date |
WO-2021108023-A1 | Penicillin-binding protein inhibitors | 20191126 |
KR-20210057300-A | Novel compound for preventing or treating neuroinflammatory disease and pharmaceutical composition including the same | 20191112 |
EP-3022205-B1 | Novel phosphodiesterase inhibitors and uses thereof | 20130717 |
US-2016152612-A1 | Novel phosphodiesterase inhibitors and uses thereof | 20130717 |
WO-2015009930-A2 | Novel phosphodiesterase inhibitors and uses thereof | 20130717 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.0040353 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.0040353 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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