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Home > Fluorides > 129086-93-7
129086-93-7 | Butanenitrile, 2-diazo-4,4,4-trifluoro-3-oxo-
CAS No: 129086-93-7 Catalog No: AG000YU1 MDL No:
Product Description
Catalog Number:
AG000YU1
Chemical Name:
Butanenitrile, 2-diazo-4,4,4-trifluoro-3-oxo-
CAS Number:
129086-93-7
Molecular Formula:
C4F3N3O
Molecular Weight:
163.0575
IUPAC Name:
2-diazo-4,4,4-trifluoro-3-oxobutanenitrile
InChI:
InChI=1S/C4F3N3O/c5-4(6,7)3(11)2(1-8)10-9
InChI Key:
RHBPHCXIZRHKAD-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C(C(=O)C(F)(F)F)C#N
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.059g/mol
Monoisotopic Mass:
162.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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