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Home > Fluorides > 116120-94-6
116120-94-6 | Propanamide, N-(2-fluoro-2,2-dinitroethyl)-3,3,3-trinitro-
CAS No: 116120-94-6 Catalog No: AG000BOW MDL No:
Product Description
Catalog Number:
AG000BOW
Chemical Name:
Propanamide, N-(2-fluoro-2,2-dinitroethyl)-3,3,3-trinitro-
CAS Number:
116120-94-6
Molecular Formula:
C5H5FN6O11
Molecular Weight:
344.1252
IUPAC Name:
N-(2-fluoro-2,2-dinitroethyl)-3,3,3-trinitropropanamide
InChI:
InChI=1S/C5H5FN6O11/c6-4(8(14)15,9(16)17)2-7-3(13)1-5(10(18)19,11(20)21)12(22)23/h1-2H2,(H,7,13)
InChI Key:
VRFFCKSXZNAHSL-UHFFFAOYSA-N
SMILES:
O=C(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])NCC([N+](=O)[O-])([N+](=O)[O-])F
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.124g/mol
Monoisotopic Mass:
344g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
258A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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