Pentanenitrile, 2-((4-chloro-2-nitrophenyl)hydroxymethylene)-4,4-dimethyl-3-oxo-

Base Information

• Chemical Name: Pentanenitrile, 2-((4-chloro-2-nitrophenyl)hydroxymethylene)-4,4-dimethyl-3-oxo-
• CAS No.: 110964-35-7
• Molecular Formula: C14H13 Cl N2 O4
• Molecular Weight: 308.717
• Mol file: 110964-35-7.mol

Synonyms:Pentanenitrile, 2-((4-chloro-2-nitrophenyl)hydroxymethylene)-4,4-dimethyl-3-oxo-;110964-35-7;SCHEMBL9650708;Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo-

Chemical Property of Pentanenitrile, 2-((4-chloro-2-nitrophenyl)hydroxymethylene)-4,4-dimethyl-3-oxo-

Chemical Property:

• Vapor Pressure: 2.05E-09mmHg at 25°C
• Boiling Point: 464.1°C at 760 mmHg
• Flash Point: 234.5°C
• Density: 1.354g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 308.0563846
• Heavy Atom Count: 21
• Complexity: 521

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)C(=C(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])O)C#N
• Isomeric SMILES: CC(C)(C)C(=O)/C(=C(/C1=C(C=C(C=C1)Cl)[N+](=O)[O-])\O)/C#N