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116331-54-5 | Fluoranthene, 2,3,5-trinitro-
CAS No: 116331-54-5 Catalog No: AG000C8I MDL No:
Product Description
Catalog Number:
AG000C8I
Chemical Name:
Fluoranthene, 2,3,5-trinitro-
CAS Number:
116331-54-5
Molecular Formula:
C16H7N3O6
Molecular Weight:
337.2433
IUPAC Name:
2,3,5-trinitrofluoranthene
InChI:
InChI=1S/C16H7N3O6/c20-17(21)8-5-11-9-3-1-2-4-10(9)12-7-14(18(22)23)16(19(24)25)13(6-8)15(11)12/h1-7H
InChI Key:
WXOXPNFYQQAKLX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c3ccccc3c3c2c(c1)c([N+](=O)[O-])c(c3)[N+](=O)[O-]
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.033g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.247g/mol
Monoisotopic Mass:
337.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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