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Home Nitriles 2-Chloro-5-nitronicotinonitrile

2-Chloro-5-nitronicotinonitrile

CAS No.:
31309-08-7
Catalog Number:
AG00CIR6
Molecular Formula:
C6H2ClN3O2
Molecular Weight:
183.5520
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$63
- +
5g
98%
In Stock USA
United States
$223
- +
10g
98%
In Stock USA
United States
$438
- +
25g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG00CIR6
Chemical Name:
2-Chloro-5-nitronicotinonitrile
CAS Number:
31309-08-7
Molecular Formula:
C6H2ClN3O2
Molecular Weight:
183.5520
MDL Number:
MFCD07345667
IUPAC Name:
2-chloro-5-nitropyridine-3-carbonitrile
InChI:
InChI=1S/C6H2ClN3O2/c7-6-4(2-8)1-5(3-9-6)10(11)12/h1,3H
InChI Key:
CSDMFMSXIUTEFJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cnc1Cl)[N+](=O)[O-]
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.984g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.551g/mol
Monoisotopic Mass:
182.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Synthesis and antileprosy activity of some dialkyldithiocarbamates. The Journal of antimicrobial chemotherapy 20060601
Properties