1-Chloro-2-iodo-4-methoxybenzene - CAS 2401-25-4
Catalog: |
BB018289 |
Product Name: |
1-Chloro-2-iodo-4-methoxybenzene |
CAS: |
2401-25-4 |
Synonyms: |
1-chloro-2-iodo-4-methoxybenzene; 1-chloro-2-iodo-4-methoxybenzene |
IUPAC Name: | 1-chloro-2-iodo-4-methoxybenzene |
Description: | 1-Chloro-2-iodo-4-methoxy-benzene has been used in enantioselective carbocycle formation through intramolecular Pd-catalyzed allyl-aryl cross-coupling. |
Molecular Weight: | 268.48 |
Molecular Formula: | C7H6ClIO |
Canonical SMILES: | COC1=CC(=C(C=C1)Cl)I |
InChI: | InChI=1S/C7H6ClIO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3 |
InChI Key: | CKEGHWVVAIEDPU-UHFFFAOYSA-N |
Boiling Point: | 284.8 °C at 760 mmHg |
Density: | 1.82 g/cm3 |
MDL: | MFCD00070768 |
LogP: | 2.95320 |
Publication Number | Title | Priority Date |
KR-102214260-B1 | Novel heterocyclic compound and organic light emitting device comprising the same | 20200325 |
WO-2021071806-A1 | Arylmethylene heterocyclic compounds as kv1.3 potassium shaker channel blockers | 20191007 |
AU-2017209935-A1 | New substituted cyanoindoline derivatives as NIK inhibitors | 20160122 |
CA-3011880-A1 | New substituted cyanoindoline derivatives as nik inhibitors | 20160122 |
EP-3405196-B1 | New substituted cyanoindoline derivatives as nik inhibitors | 20160122 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.91519 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.91519 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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