Home Nitriles 2-Chlorobenzoylacetonitrile

2-Chlorobenzoylacetonitrile

CAS No.:
40018-25-5
Catalog Number:
AG003396
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
$975
- +
Product Description
Catalog Number:
AG003396
Chemical Name:
2-Chlorobenzoylacetonitrile
CAS Number:
40018-25-5
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD00051624
IUPAC Name:
3-(2-chlorophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4H,5H2
InChI Key:
SBSWHTFHLWSSQS-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccccc1Cl
EC Number:
609-772-9
Properties
Complexity:
218  
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:
2  
Properties