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87622-72-8 | Pentane, 3-fluoro-1,1,1,3,5,5,5-heptanitro-
CAS No: 87622-72-8 Catalog No: AG004P54 MDL No:
Product Description
Catalog Number:
AG004P54
Chemical Name:
Pentane, 3-fluoro-1,1,1,3,5,5,5-heptanitro-
CAS Number:
87622-72-8
Molecular Formula:
C5H4FN7O14
Molecular Weight:
405.1222
IUPAC Name:
3-fluoro-1,1,1,3,5,5,5-heptanitropentane
InChI:
InChI=1S/C5H4FN7O14/c6-3(7(14)15,1-4(8(16)17,9(18)19)10(20)21)2-5(11(22)23,12(24)25)13(26)27/h1-2H2
InChI Key:
WWSMSRYITORSDV-UHFFFAOYSA-N
SMILES:
FC([N+](=O)[O-])(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.98g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.12g/mol
Monoisotopic Mass:
404.98g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
321A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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