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1263-33-8 | Fluoren-9-one, 4-bromo-2,5,7-trinitro-, compd. with dibenz[a,h]anthracene (1:1) (8CI)
CAS No: 1263-33-8 Catalog No: AG000SIM MDL No:
Product Description
Catalog Number:
AG000SIM
Chemical Name:
Fluoren-9-one, 4-bromo-2,5,7-trinitro-, compd. with dibenz[a,h]anthracene (1:1) (8CI)
CAS Number:
1263-33-8
Molecular Formula:
C35H18BrN3O7
Molecular Weight:
672.4373
IUPAC Name:
4-bromo-2,5,7-trinitrofluoren-9-one;naphtho[1,2-b]phenanthrene
InChI:
InChI=1S/C22H14.C13H4BrN3O7/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22;14-9-3-5(15(19)20)1-7-11(9)12-8(13(7)18)2-6(16(21)22)4-10(12)17(23)24/h1-14H;1-4H
InChI Key:
YQYRBTMEPJSWHD-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4.Brc1cc(cc2c1c1c(cc(cc1C2=O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
97620
Properties
Complexity:
959
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
671.033g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
672.447g/mol
Monoisotopic Mass:
671.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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