Home Nitriles 3-Chlorophthalonitrile

3-Chlorophthalonitrile

CAS No.:
76241-79-7
Catalog Number:
AG005711
Molecular Formula:
C8H3ClN2
Molecular Weight:
162.5758
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$38
- +
5g
97%
In Stock USA
United States
$100
- +
25g
97%
In Stock USA
United States
$394
- +
Product Description
Catalog Number:
AG005711
Chemical Name:
3-Chlorophthalonitrile
CAS Number:
76241-79-7
Molecular Formula:
C8H3ClN2
Molecular Weight:
162.5758
MDL Number:
MFCD19689405
IUPAC Name:
3-chlorobenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C8H3ClN2/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3H
InChI Key:
LZQGFZMYLYXXHI-UHFFFAOYSA-N
SMILES:
N#Cc1c(C#N)cccc1Cl
EC Number:
278-398-2
Properties
Complexity:
231  
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:
1.8  
Properties