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Home Other Building Blocks 3-Chloro-2-butanone

3-Chloro-2-butanone

CAS No.:
4091-39-8
Catalog Number:
AG003DW5
Molecular Formula:
C4H7ClO
Molecular Weight:
106.5508
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100g
96%
In Stock USA
United States
$38
- +
500g
96%
In Stock USA
United States
$100
- +
Product Description
Catalog Number:
AG003DW5
Chemical Name:
3-Chloro-2-butanone
CAS Number:
4091-39-8
Molecular Formula:
C4H7ClO
Molecular Weight:
106.5508
MDL Number:
MFCD00000865
IUPAC Name:
3-chlorobutan-2-one
InChI:
InChI=1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3
InChI Key:
OIMRLHCSLQUXLL-UHFFFAOYSA-N
SMILES:
CC(=O)C(Cl)C
EC Number:
223-834-9
Properties
Complexity:
60.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.019g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
106.549g/mol
Monoisotopic Mass:
106.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Products and mechanism of the reaction of Cl with butanone in N2/O2 diluent at 297-526 K. The journal of physical chemistry. A 20090319
Enantiomerization study of some alpha-nitroketones by dynamic high-resolution gas chromatography. The Journal of organic chemistry 20030418
Properties