Home Halogens 2,4-Dichlorobenzoylacetonitrile

2,4-Dichlorobenzoylacetonitrile

CAS No.:
39528-61-5
Catalog Number:
AG00C5CO
Molecular Formula:
C9H5Cl2NO
Molecular Weight:
214.0481
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 99% (HPLC)
1 week
United States
$243
- +
5g
≥ 99% (HPLC)
1 week
United States
$754
- +
25g
≥ 99% (HPLC)
1 week
United States
$3181
- +
Product Description
Catalog Number:
AG00C5CO
Chemical Name:
2,4-Dichlorobenzoylacetonitrile
CAS Number:
39528-61-5
Molecular Formula:
C9H5Cl2NO
Molecular Weight:
214.0481
MDL Number:
MFCD02657976
IUPAC Name:
3-(2,4-dichlorophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H5Cl2NO/c10-6-1-2-7(8(11)5-6)9(13)3-4-12/h1-2,5H,3H2
InChI Key:
AKSMJAXTUMPWCX-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(cc1Cl)Cl
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.975g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.045g/mol
Monoisotopic Mass:
212.975g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties