Home Halogens 4-chloro-3,3-dimethylbutan-2-one

4-chloro-3,3-dimethylbutan-2-one

CAS No.:
13104-53-5
Catalog Number:
AG01C2ID
Molecular Formula:
C6H11ClO
Molecular Weight:
134.6039
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Product Description
Catalog Number:
AG01C2ID
Chemical Name:
4-chloro-3,3-dimethylbutan-2-one
CAS Number:
13104-53-5
Molecular Formula:
C6H11ClO
Molecular Weight:
134.6039
MDL Number:
MFCD19232001
IUPAC Name:
4-chloro-3,3-dimethylbutan-2-one
InChI:
InChI=1S/C6H11ClO/c1-5(8)6(2,3)4-7/h4H2,1-3H3
InChI Key:
ZTIQUSIDVGYUBW-UHFFFAOYSA-N
SMILES:
ClCC(C(=O)C)(C)C
Properties
Complexity:
96.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.05g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.603g/mol
Monoisotopic Mass:
134.05g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties