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Home > Nitro Compounds > 140218-63-9
140218-63-9 | Phenazine, 1,3,7,9-tetranitro-, 5,10-dioxide
CAS No: 140218-63-9 Catalog No: AG001C5J MDL No:
Product Description
Catalog Number:
AG001C5J
Chemical Name:
Phenazine, 1,3,7,9-tetranitro-, 5,10-dioxide
CAS Number:
140218-63-9
Molecular Formula:
C12H4N6O10
Molecular Weight:
392.1944
IUPAC Name:
2,4,6,8-tetranitro-10-oxidophenazin-5-ium 5-oxide
InChI:
InChI=1S/C12H4N6O10/c19-13-7-1-5(15(21)22)3-9(17(25)26)11(7)14(20)12-8(13)2-6(16(23)24)4-10(12)18(27)28/h1-4H
InChI Key:
REXRVTPAPJIJLI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1)[n+]([O-])c1c([n+]2[O-])c(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
666
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.999g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.196g/mol
Monoisotopic Mass:
391.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
230A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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