Home Halogens 1-chloro-3,3-dimethylpentan-2-one

1-chloro-3,3-dimethylpentan-2-one

CAS No.:
83391-82-6
Catalog Number:
AG01C38N
Molecular Formula:
C7H13ClO
Molecular Weight:
148.6305
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Product Description
Catalog Number:
AG01C38N
Chemical Name:
1-chloro-3,3-dimethylpentan-2-one
CAS Number:
83391-82-6
Molecular Formula:
C7H13ClO
Molecular Weight:
148.6305
MDL Number:
MFCD19236543
IUPAC Name:
1-chloro-3,3-dimethylpentan-2-one
InChI:
InChI=1S/C7H13ClO/c1-4-7(2,3)6(9)5-8/h4-5H2,1-3H3
InChI Key:
HJKJTWHMUWAAFA-UHFFFAOYSA-N
SMILES:
ClCC(=O)C(CC)(C)C
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.065g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.63g/mol
Monoisotopic Mass:
148.065g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties