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102493-20-9 | Fluoranthene, 1,2,4-trinitro-
CAS No: 102493-20-9 Catalog No: AG0007KO MDL No:
Product Description
Catalog Number:
AG0007KO
Chemical Name:
Fluoranthene, 1,2,4-trinitro-
CAS Number:
102493-20-9
Molecular Formula:
C16H7N3O6
Molecular Weight:
337.2433
IUPAC Name:
1,2,4-trinitrofluoranthene
InChI:
InChI=1S/C16H7N3O6/c20-17(21)12-6-5-10-8-3-1-2-4-9(8)15-14(10)11(12)7-13(18(22)23)16(15)19(24)25/h1-7H
InChI Key:
WHKRRYLZSVSUKK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c3c1cc([N+](=O)[O-])c(c3c1c2cccc1)[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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