3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one

Base Information

• Chemical Name: 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one
• CAS No.: 27972-17-4
• Molecular Formula: C13H14 Cl3 N O
• Molecular Weight: 306.62
• Mol file: 27972-17-4.mol

Synonyms:27972-17-4;3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one;2-Propen-1-one, 3-(bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-;2-Propen-1-one, 3-[bis(2-chloroethyl)amino]-3-(3-chlorophenyl)-;Acrylophenone, 3-[bis(2-chloroethyl)amino]-3'-chloro-

Chemical Property of 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one

Chemical Property:

• Vapor Pressure: 3.04E-11mmHg at 25°C
• Boiling Point: 528.2°Cat760mmHg
• PKA: 2.97±0.70(Predicted)
• Flash Point: 273.2°C
• PSA: 20.31000
• Density: 1.282g/cm³
• LogP: 3.65940
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 305.014097
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)C(=CC=O)N(CCCl)CCCl
• Isomeric SMILES: C1=CC(=CC(=C1)Cl)/C(=C/C=O)/N(CCCl)CCCl

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