5-Iodo-2-methoxybenzonitrile - CAS 933672-32-3
Catalog: |
BB040859 |
Product Name: |
5-Iodo-2-methoxybenzonitrile |
CAS: |
933672-32-3 |
Synonyms: |
Benzonitrile, 5-iodo-2-methoxy- |
IUPAC Name: | 5-iodo-2-methoxybenzonitrile |
Molecular Weight: | 259.04 |
Molecular Formula: | C8H6INO |
Canonical SMILES: | COC1=C(C=C(C=C1)I)C#N |
InChI: | InChI=1S/C8H6INO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,1H3 |
InChI Key: | LKHLIOQZTDZHJU-UHFFFAOYSA-N |
Boiling Point: | 316.5±32.0°C at 760 mmHg |
Melting Point: | 122-124°C |
Purity: | ≥95% |
Density: | 1.82±0.1 g/cm3 |
Appearance: | White to Almost White Powder to Crystal |
Storage: | Store at 2-8°C |
MDL: | MFCD02683860 |
LogP: | 2.17148 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2016061344-A1 | Gsk3 inhibitors and their uses | 20141015 |
EP-2804868-B1 | Pyran-spirocyclic piperidine amides as modulators of ion channels | 20120116 |
EP-2024333-A2 | Amino-ethyl-amino-aryl (aeaa) compounds and their use | 20060426 |
JP-2009534458-A | Amino-ethyl-amino-aryl (AEAA) compounds and their use | 20060426 |
MX-2008013718-A | AMINO-ETIL-AMINO-ARILO COMPOUNDS AND ITS USE. | 20060426 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.94941 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.94941 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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