Acetamide, N,N-dibu...

Acetamide, N,N-dibutyl-2,2-dichloro- 5327-06-0

Acetamide, N,N-dibutyl-2,2-dichloro- 5327-06-0

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N,N-dibutyl-2,2-dichloro-acetamide Acetamide, N,N-dibutyl-2,2-dichloro- 5327-06-0

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Details:

Identification and Related Records
【Name】
Acetamide, N,N-dibutyl-2,2-dichloro-
【Iupac name】
N,N-dibutyl-2,2-dichloroacetamide
【CAS Registry number】
5327-06-0
【Synonyms】
Acetamide, N,N-dibutyl-2,2-dichloro-
【Molecular Formula】
C10H19Cl2NO (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C10H19Cl2NO/c1-3-5-7-13(8-6-4-2)10(14)9(11)12/h9H,3-8H2,1-2H3
【Canonical SMILES】
CCCCN(CCCC)C(=O)C(Cl)Cl
【MOL File】
5327-06-0.mol
Chemical and Physical Properties
【Density】
1.086g/cm3
【Boiling Point】
291.2°C at 760 mmHg
【Refractive Index】
1.47
【Flash Point】
129.9°C
【Computed Properties】
Molecular Weight:240.16996 [g/mol]
Molecular Formula:C10H19Cl2NO
XLogP3-AA:3.6
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:7
Exact Mass:239.08437
MonoIsotopic Mass:239.08437
Topological Polar Surface Area:20.3
Heavy Atom Count:14
Formal Charge:0
Complexity:154
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:2
Effective Rotor Count:8
Conformer Sampling RMSD:0.8
CID Conformer Count:111

 

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