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Home > Nitro Compounds > 116-78-9
116-78-9 | 9,10-Anthracenedione, 1,5-bis(2,4-dinitrophenoxy)-4,8-dinitro-
CAS No: 116-78-9 Catalog No: AG000BCC MDL No:
Product Description
Catalog Number:
AG000BCC
Chemical Name:
9,10-Anthracenedione, 1,5-bis(2,4-dinitrophenoxy)-4,8-dinitro-
CAS Number:
116-78-9
Molecular Formula:
C26H10N6O16
Molecular Weight:
662.3882
IUPAC Name:
1,5-bis(2,4-dinitrophenoxy)-4,8-dinitroanthracene-9,10-dione
InChI:
InChI=1S/C26H10N6O16/c33-25-22-14(30(41)42)4-8-20(48-18-6-2-12(28(37)38)10-16(18)32(45)46)24(22)26(34)21-13(29(39)40)3-7-19(23(21)25)47-17-5-1-11(27(35)36)9-15(17)31(43)44/h1-10H
InChI Key:
JPBCMHKLKIEZEF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1C(=O)c1c(C2=O)c(ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
EC Number:
204-158-3
Properties
Complexity:
1260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
662.015g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
662.392g/mol
Monoisotopic Mass:
662.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
328A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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