2-Cyano-3-(2,3-dichlorophenyl)propionic Acid - CAS 39959-99-4
Catalog: |
BB024221 |
Product Name: |
2-Cyano-3-(2,3-dichlorophenyl)propionic Acid |
CAS: |
39959-99-4 |
Synonyms: |
2-cyano-3-(2,3-dichlorophenyl)propanoic acid; 2-cyano-3-(2,3-dichlorophenyl)propanoic acid |
IUPAC Name: | 2-cyano-3-(2,3-dichlorophenyl)propanoic acid |
Description: | 2-Cyano-3-(2,3-dichlorophenyl)propionic Acid (CAS# 39959-99-4 ) is a useful research chemical. |
Molecular Weight: | 244.07 |
Molecular Formula: | C10H7Cl2NO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)Cl)CC(C#N)C(=O)O |
InChI: | InChI=1S/C10H7Cl2NO2/c11-8-3-1-2-6(9(8)12)4-7(5-13)10(14)15/h1-3,7H,4H2,(H,14,15) |
InChI Key: | VPJNFRXTNLNCMR-UHFFFAOYSA-N |
LogP: | 2.76028 |
Publication Number | Title | Priority Date |
US-2014187545-A1 | Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors | 20110824 |
US-9096605-B2 | Pyrazolopyrimidine derivatives as PI3 kinase inhibitors | 20110824 |
WO-2013028263-A1 | Pyrazolopyrimidine derivatives as pi3 kinase inhibitors | 20110824 |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.9853839 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.9853839 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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