2-Butanone, 1-chloro-3,3-dimethyl-


Chemical Name: 2-Butanone, 1-chloro-3,3-dimethyl-
CAS Number: 13547-70-1
Product Number: AG003B1J(AGN-PC-0JLUMD)
Synonyms:
MDL No:
Molecular Formula: C6H11ClO
Molecular Weight: 134.6039

Identification/Properties


Properties
MP:
−13 °C(lit.)
BP:
170-173°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.442(lit.)
Computed Properties
Molecular Weight:
134.603g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
134.05g/mol
Monoisotopic Mass:
134.05g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
91.2
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
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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