Home Other Building Blocks 1-Chloropinacolone

1-Chloropinacolone

CAS No.:
13547-70-1
Catalog Number:
AG003B1J
Molecular Formula:
C6H11ClO
Molecular Weight:
134.6039
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$19
- +
Product Description
Catalog Number:
AG003B1J
Chemical Name:
1-Chloropinacolone
CAS Number:
13547-70-1
Molecular Formula:
C6H11ClO
Molecular Weight:
134.6039
MDL Number:
MFCD00035688
IUPAC Name:
1-chloro-3,3-dimethylbutan-2-one
InChI:
InChI=1S/C6H11ClO/c1-6(2,3)5(8)4-7/h4H2,1-3H3
InChI Key:
ULSAJQMHTGKPIY-UHFFFAOYSA-N
SMILES:
ClCC(=O)C(C)(C)C
EC Number:
236-920-6
UNII:
Z6QD905NNW
Properties
Complexity:
91.2  
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:
2  
Properties