Home Halogens 2-Butanone, 1,4-dichloro-

2-Butanone, 1,4-dichloro-

CAS No.:
16714-78-6
Catalog Number:
AG001X61
Molecular Formula:
C4H6Cl2O
Molecular Weight:
140.9958
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Product Description
Catalog Number:
AG001X61
Chemical Name:
2-Butanone, 1,4-dichloro-
CAS Number:
16714-78-6
Molecular Formula:
C4H6Cl2O
Molecular Weight:
140.9958
MDL Number:
MFCD16038619
IUPAC Name:
1,4-dichlorobutan-2-one
InChI:
InChI=1S/C4H6Cl2O/c5-2-1-4(7)3-6/h1-3H2
InChI Key:
UDNZDMGFDFBONM-UHFFFAOYSA-N
SMILES:
ClCCC(=O)CCl
EC Number:
240-768-6
Properties
Complexity:
62.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.98g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.991g/mol
Monoisotopic Mass:
139.98g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties