2-(5-Bromo-2-methoxyphenyl)acetonitrile - CAS 7062-40-0
Catalog: |
BB034195 |
Product Name: |
2-(5-Bromo-2-methoxyphenyl)acetonitrile |
CAS: |
7062-40-0 |
Synonyms: |
2-(5-bromo-2-methoxyphenyl)acetonitrile; 2-(5-bromo-2-methoxyphenyl)acetonitrile |
IUPAC Name: | 2-(5-bromo-2-methoxyphenyl)acetonitrile |
Description: | 2-(5-Bromo-2-methoxyphenyl)acetonitrile (CAS# 7062-40-0) is a useful intermediate used in the synthesis of 5-bromo-2-methoxyphenylacetonitrile and some of its derivatives. |
Molecular Weight: | 226.07 |
Molecular Formula: | C9H8BrNO |
Canonical SMILES: | COC1=C(C=C(C=C1)Br)CC#N |
InChI: | InChI=1S/C9H8BrNO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4H2,1H3 |
InChI Key: | VHFHMEZAFVNROO-UHFFFAOYSA-N |
Boiling Point: | 580.8 ℃ at 760 mmHg |
Density: | 1.37 g/cm3 |
MDL: | MFCD00016392 |
LogP: | 2.52378 |
Publication Number | Title | Priority Date |
AU-2007223865-A1 | Use of pyrazolo[1,5A]pyrimidin-7-yl amine derivatives in the treatment of neurological disorders | 20060308 |
BR-PI0708693-A2 | use of pyrazol derivatives [1,5, a] pyrimidin-7-yl amine in the treatment of neurological disorders | 20060308 |
CA-2643362-A1 | Use of pyrazolo[1,5a]pyrimidin-7-yl amine derivatives in the treatment of neurological disorders | 20060308 |
EP-1993552-A2 | Use of pyrazolo[1,5a]pyrimidin-7-yl amine derivatives in the treatment of neurological disorders | 20060308 |
JP-2009529054-A | Use of pyrazolo [1,5A] pyrimidin-7-ylamine derivatives in the treatment of neurological disorders | 20060308 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.97893 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.97893 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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