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1214388-53-0 | 3-Pyridinecarbonitrile, 2-(difluoromethoxy)-
CAS No: 1214388-53-0 Catalog No: AG0014Z5 MDL No:
Product Description
Catalog Number:
AG0014Z5
Chemical Name:
3-Pyridinecarbonitrile, 2-(difluoromethoxy)-
CAS Number:
1214388-53-0
Molecular Formula:
C7H4F2N2O
Molecular Weight:
170.1163
IUPAC Name:
2-(difluoromethoxy)pyridine-3-carbonitrile
InChI:
InChI=1S/C7H4F2N2O/c8-7(9)12-6-5(4-10)2-1-3-11-6/h1-3,7H
InChI Key:
CLXJWFNKTDWPKP-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1OC(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
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