5-Iodo-2-methoxybenzaldehyde - CAS 42298-41-9
Catalog: |
BB025099 |
Product Name: |
5-Iodo-2-methoxybenzaldehyde |
CAS: |
42298-41-9 |
Synonyms: |
5-iodo-2-methoxybenzaldehyde |
IUPAC Name: | 5-iodo-2-methoxybenzaldehyde |
Description: | 5-Iodo-2-methoxybenzaldehyde (CAS# 42298-41-9) is a useful research chemical. |
Molecular Weight: | 262.04 |
Molecular Formula: | C8H7IO2 |
Canonical SMILES: | COC1=C(C=C(C=C1)I)C=O |
InChI: | InChI=1S/C8H7IO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3 |
InChI Key: | PIRKMHAREMCDPZ-UHFFFAOYSA-N |
Boiling Point: | 314.5 °C at 760 mmHg |
Melting Point: | 140-146 °C |
Purity: | 95 % |
Density: | 1.78 g/cm3 |
MDL: | MFCD04128999 |
LogP: | 2.11230 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3085688-A1 | Adamantane or pinene derivatives for use in the treatment of chlamydiales infections | 20150421 |
US-10039727-B2 | Adamantane or pinene derivatives for use in the treatment of chlamydiales infections | 20150421 |
US-2016310448-A1 | Adamantane or Pinene Derivatives for Use in the Treatment of Chlamydiales Infections | 20150421 |
EP-3085688-B1 | Adamantane or pinene derivatives for use in the treatment of chlamydiales infections | 20150421 |
US-2015209323-A1 | Flavonoid based antiviral targets | 20120921 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.94908 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.94908 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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