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Home Nitriles 2-Chloroisophthalonitrile

2-Chloroisophthalonitrile

CAS No.:
28442-78-6
Catalog Number:
AG00BFJS
Molecular Formula:
C8H3ClN2
Molecular Weight:
162.5758
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$94
- +
1g
98%
In Stock USA
United States
$244
- +
5g
98%
In Stock USA
United States
$732
- +
10g
98%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG00BFJS
Chemical Name:
2-Chloroisophthalonitrile
CAS Number:
28442-78-6
Molecular Formula:
C8H3ClN2
Molecular Weight:
162.5758
MDL Number:
MFCD01657061
IUPAC Name:
2-chlorobenzene-1,3-dicarbonitrile
InChI:
InChI=1S/C8H3ClN2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-3H
InChI Key:
KELQMIQLTBTJNV-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1Cl)C#N
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.998g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.576g/mol
Monoisotopic Mass:
161.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Transformation of the fungicide chlorothalonil by Fenton reagent. Journal of agricultural and food chemistry 20021218
Study of chlorothalonil photodegradation in natural waters and in the presence of humic substances. Chemosphere 20020901
Properties