Home Halogens 1,7-Dichloroheptan-4-one

1,7-Dichloroheptan-4-one

CAS No.:
40624-07-5
Catalog Number:
AG003DRM
Molecular Formula:
C7H12Cl2O
Molecular Weight:
183.0756
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$44
- +
25g
98%
In Stock USA
United States
$63
- +
100g
98%
In Stock USA
United States
$175
- +
Product Description
Catalog Number:
AG003DRM
Chemical Name:
1,7-Dichloroheptan-4-one
CAS Number:
40624-07-5
Molecular Formula:
C7H12Cl2O
Molecular Weight:
183.0756
MDL Number:
MFCD00019001
IUPAC Name:
1,7-dichloroheptan-4-one
InChI:
InChI=1S/C7H12Cl2O/c8-5-1-3-7(10)4-2-6-9/h1-6H2
InChI Key:
SCKUIKDAPAUGBE-UHFFFAOYSA-N
SMILES:
ClCCCC(=O)CCCCl
NSC Number:
60201
Properties
Complexity:
83.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.027g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.072g/mol
Monoisotopic Mass:
182.027g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
1,1'-(4-Oxoheptane-1,7-di-yl)bis-(2-methyl-1H-benzimidazole) penta-hydrate. Acta crystallographica. Section E, Structure reports online 20080101
Properties