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Home > Fluorides > 948551-74-4
948551-74-4 | 5-isocyanato-2-(trifluoromethyl)pyridine
CAS No: 948551-74-4 Catalog No: AG003ARM MDL No:MFCD09833255
Product Description
Catalog Number:
AG003ARM
Chemical Name:
5-isocyanato-2-(trifluoromethyl)pyridine
CAS Number:
948551-74-4
Molecular Formula:
C7H3F3N2O
Molecular Weight:
188.1067
MDL Number:
MFCD09833255
IUPAC Name:
5-isocyanato-2-(trifluoromethyl)pyridine
InChI:
InChI=1S/C7H3F3N2O/c8-7(9,10)6-2-1-5(3-11-6)12-4-13/h1-3H
InChI Key:
PXRYPNYSTNPZAH-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(nc1)C(F)(F)F
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.109g/mol
Monoisotopic Mass:
188.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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