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Home > Nitro Compounds > 85903-52-2
85903-52-2 | 10H-Phenothiazine, 1,3,7-trinitro-, 5,5-dioxide
CAS No: 85903-52-2 Catalog No: AG004MWK MDL No:
Product Description
Catalog Number:
AG004MWK
Chemical Name:
10H-Phenothiazine, 1,3,7-trinitro-, 5,5-dioxide
CAS Number:
85903-52-2
Molecular Formula:
C12H6N4O8S
Molecular Weight:
366.2630
IUPAC Name:
1,3,7-trinitro-10H-phenothiazine 5,5-dioxide
InChI:
InChI=1S/C12H6N4O8S/c17-14(18)6-1-2-8-10(4-6)25(23,24)11-5-7(15(19)20)3-9(16(21)22)12(11)13-8/h1-5,13H
InChI Key:
ZWJMAWHVWMNSLJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)S(=O)(=O)c1c(N2)c(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
690
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.991g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.26g/mol
Monoisotopic Mass:
365.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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