4-(2-Cyano-2-propyl)benzoyl Chloride - CAS 129488-75-1
Catalog: |
BB006997 |
Product Name: |
4-(2-Cyano-2-propyl)benzoyl Chloride |
CAS: |
129488-75-1 |
Synonyms: |
4-(2-cyanopropan-2-yl)benzoyl chloride; 4-(2-cyanopropan-2-yl)benzoyl chloride |
IUPAC Name: | 4-(2-cyanopropan-2-yl)benzoyl chloride |
Description: | 4-(2-Cyano-2-propyl)benzoyl Chloride (CAS# 129488-75-1 ) is a useful research chemical. |
Molecular Weight: | 207.66 |
Molecular Formula: | C11H10ClNO |
Canonical SMILES: | CC(C)(C#N)C1=CC=C(C=C1)C(=O)Cl |
InChI: | InChI=1S/C11H10ClNO/c1-11(2,7-13)9-5-3-8(4-6-9)10(12)14/h3-6H,1-2H3 |
InChI Key: | PSOGCRTXEAQODD-UHFFFAOYSA-N |
LogP: | 2.86678 |
Publication Number | Title | Priority Date |
EP-2303890-A2 | Phosphatidylinositol 3 kinase inhibitors | 20080619 |
US-2011212053-A1 | Phosphatidylinositol 3 kinase inhibitors | 20080619 |
WO-2009155527-A2 | Phosphatidylinositol 3 kinase inhibitors | 20080619 |
WO-2009155527-A9 | Phosphatidylinositol 3 kinase inhibitors | 20080619 |
EP-2271646-A1 | Apoptosis signal-regulating kinase 1 inhibitors | 20080331 |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.0450916 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.0450916 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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