5-Chloro-2-hydroxy-3-methoxybenzaldehyde - CAS 7740-05-8
Catalog: |
BB035926 |
Product Name: |
5-Chloro-2-hydroxy-3-methoxybenzaldehyde |
CAS: |
7740-05-8 |
Synonyms: |
5-chloro-2-hydroxy-3-methoxybenzaldehyde |
IUPAC Name: | 5-chloro-2-hydroxy-3-methoxybenzaldehyde |
Description: | 5-Chloro-2-hydroxy-3-methoxybenzaldehyde (CAS# 7740-05-8) is a useful research chemical compound. |
Molecular Weight: | 186.59 |
Molecular Formula: | C8H7ClO3 |
Canonical SMILES: | COC1=C(C(=CC(=C1)Cl)C=O)O |
InChI: | InChI=1S/C8H7ClO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,1H3 |
InChI Key: | PQKYPMGTDHNSRL-UHFFFAOYSA-N |
Boiling Point: | 268 °C at 760 mmHg |
Density: | 1.377 g/cm3 |
MDL: | MFCD01103568 |
LogP: | 1.86670 |
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-2021191882-A1 | Antimalarial agent, methods and uses thereof | 20200327 |
CN-108727176-B | Method for preparing 5-halogen-2, 3-dihydroxy benzaldehyde | 20180726 |
EP-3645007-A1 | Methods of treating cancer with small molecule nf-kb inhibitors | 20170627 |
US-2019000851-A1 | METHODS OF TREATING CANCER WITH SMALL MOLECULE NF-kB INHIBITORS | 20170627 |
WO-2019006002-A1 | METHODS OF TREATING CANCER USING SMALL MOLECULE TYPE NF-KB INHIBITORS | 20170627 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0083718 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0083718 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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