Home Nitriles 2-[(1,1,1-trifluoropropan-2-yl)oxy]pyridine-3-carbonitrile

2-[(1,1,1-trifluoropropan-2-yl)oxy]pyridine-3-carbonitrile

CAS No.:
1515425-69-0
Catalog Number:
AG01BD68
Molecular Formula:
C9H7F3N2O
Molecular Weight:
216.1599
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Product Description
Catalog Number:
AG01BD68
Chemical Name:
2-[(1,1,1-trifluoropropan-2-yl)oxy]pyridine-3-carbonitrile
CAS Number:
1515425-69-0
Molecular Formula:
C9H7F3N2O
Molecular Weight:
216.1599
MDL Number:
MFCD22308908
IUPAC Name:
2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile
InChI:
InChI=1S/C9H7F3N2O/c1-6(9(10,11)12)15-8-7(5-13)3-2-4-14-8/h2-4,6H,1H3
InChI Key:
LTYKSQRXRKEKJW-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1OC(C(F)(F)F)C
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.163g/mol
Monoisotopic Mass:
216.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties