Home Other Building Blocks 1-Chloro-3-methylbutan-2-one

1-Chloro-3-methylbutan-2-one

CAS No.:
17687-63-7
Catalog Number:
AG0024YH
Molecular Formula:
C5H9ClO
Molecular Weight:
120.5774
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$494
- +
5g
96%
In Stock USA
United States
$1475
- +
10g
96%
In Stock USA
United States
$2200
- +
Product Description
Catalog Number:
AG0024YH
Chemical Name:
1-Chloro-3-methylbutan-2-one
CAS Number:
17687-63-7
Molecular Formula:
C5H9ClO
Molecular Weight:
120.5774
MDL Number:
MFCD19160714
IUPAC Name:
1-chloro-3-methylbutan-2-one
InChI:
InChI=1S/C5H9ClO/c1-4(2)5(7)3-6/h4H,3H2,1-2H3
InChI Key:
GGTWUPLPAPTFAR-UHFFFAOYSA-N
SMILES:
ClCC(=O)C(C)C
Properties
Complexity:
68.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.034g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.576g/mol
Monoisotopic Mass:
120.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties