Home Nitriles 3-Pyridinecarbonitrile, 6-(difluoromethoxy)-

3-Pyridinecarbonitrile, 6-(difluoromethoxy)-

CAS No.:
1198103-42-2
Catalog Number:
AG000PP7
Molecular Formula:
C7H4F2N2O
Molecular Weight:
170.1163
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Product Description
Catalog Number:
AG000PP7
Chemical Name:
3-Pyridinecarbonitrile, 6-(difluoromethoxy)-
CAS Number:
1198103-42-2
Molecular Formula:
C7H4F2N2O
Molecular Weight:
170.1163
MDL Number:
MFCD14698409
IUPAC Name:
6-(difluoromethoxy)pyridine-3-carbonitrile
InChI:
InChI=1S/C7H4F2N2O/c8-7(9)12-6-2-1-5(3-10)4-11-6/h1-2,4,7H
InChI Key:
RASGKOKUJVRDAN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)OC(F)F
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.119g/mol
Monoisotopic Mass:
170.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties