3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanopropionic Acid - CAS 41234-20-2
Catalog: |
BB024826 |
Product Name: |
3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanopropionic Acid |
CAS: |
41234-20-2 |
Synonyms: |
3-(2-bromo-4,5-dimethoxyphenyl)-2-cyanopropanoic acid; 3-(2-bromo-4,5-dimethoxyphenyl)-2-cyanopropanoic acid |
IUPAC Name: | 3-(2-bromo-4,5-dimethoxyphenyl)-2-cyanopropanoic acid |
Description: | 3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanopropionic Acid (CAS# 41234-20-2 ) is a useful research chemical. |
Molecular Weight: | 314.13 |
Molecular Formula: | C12H12BrNO4 |
Canonical SMILES: | COC1=C(C=C(C(=C1)CC(C#N)C(=O)O)Br)OC |
InChI: | InChI=1S/C12H12BrNO4/c1-17-10-4-7(3-8(6-14)12(15)16)9(13)5-11(10)18-2/h4-5,8H,3H2,1-2H3,(H,15,16) |
InChI Key: | NHGTWBDIDKLDLJ-UHFFFAOYSA-N |
LogP: | 2.23318 |
Publication Number | Title | Priority Date |
WO-2015022702-A2 | Process for preparation of 4,5-dimethoxybenzene derivatives and use in the synthesis of ivabradine and salts thereof | 20130810 |
EP-2162438-A2 | Process for the preparation of ivabradine hydrochloride and polymorph thereof | 20070530 |
EP-2471780-A1 | Crystalline Ivabradine Oxalate Salts and Polymorphs Thereof | 20070530 |
EP-2471780-B1 | Crystalline Ivabradine Oxalate Salts and Polymorphs Thereof | 20070530 |
JP-2010528103-A | Preparation method and polymorph of ivabradine hydrochloride | 20070530 |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 312.99497 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 312.99497 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 79.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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