Home Nitriles 4-Chlorobenzoylacetonitrile

4-Chlorobenzoylacetonitrile

CAS No.:
4640-66-8
Catalog Number:
AG00I8KO
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$32
- +
25g
98%
In Stock USA
United States
$75
- +
100g
98%
In Stock USA
United States
$225
- +
500g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00I8KO
Chemical Name:
4-Chlorobenzoylacetonitrile
CAS Number:
4640-66-8
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD00051625
IUPAC Name:
3-(4-chlorophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H6ClNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2
InChI Key:
JYOUFPNYTOFCSJ-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(cc1)Cl
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.014g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.603g/mol
Monoisotopic Mass:
179.014g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties