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123846-69-5

123846-69-5 | 2-Pyridineacetonitrile, 6-chloro-3-nitro-

CAS No: 123846-69-5 Catalog No: AG000L6U MDL No:MFCD11848722

Product Description

Catalog Number:
AG000L6U
Chemical Name:
2-Pyridineacetonitrile, 6-chloro-3-nitro-
CAS Number:
123846-69-5
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
MDL Number:
MFCD11848722
IUPAC Name:
2-(6-chloro-3-nitropyridin-2-yl)acetonitrile
InChI:
InChI=1S/C7H4ClN3O2/c8-7-2-1-6(11(12)13)5(10-7)3-4-9/h1-2H,3H2
InChI Key:
VWQYUNFEEYPSFJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1CC#N)Cl

Properties

Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.999g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.578g/mol
Monoisotopic Mass:
196.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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