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Home > Nitro Compounds > 136776-24-4
136776-24-4 | Ethanone, 1-(10H-phenothiazin-10-yl)-2-(2,4,6-trinitrophenoxy)-
CAS No: 136776-24-4 Catalog No: AG0012BZ MDL No:
Product Description
Catalog Number:
AG0012BZ
Chemical Name:
Ethanone, 1-(10H-phenothiazin-10-yl)-2-(2,4,6-trinitrophenoxy)-
CAS Number:
136776-24-4
Molecular Formula:
C20H12N4O8S
Molecular Weight:
468.3963
IUPAC Name:
1-phenothiazin-10-yl-2-(2,4,6-trinitrophenoxy)ethanone
InChI:
InChI=1S/C20H12N4O8S/c25-19(21-13-5-1-3-7-17(13)33-18-8-4-2-6-14(18)21)11-32-20-15(23(28)29)9-12(22(26)27)10-16(20)24(30)31/h1-10H,11H2
InChI Key:
XTZDUYBTLPCCNP-UHFFFAOYSA-N
SMILES:
O=C(N1c2ccccc2Sc2c1cccc2)COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
738
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.038g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.396g/mol
Monoisotopic Mass:
468.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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