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606-35-9 | 2-methoxy-1,3,5-trinitrobenzene
CAS No: 606-35-9 Catalog No: AG00JJLU MDL No:MFCD00188419
Product Description
Catalog Number:
AG00JJLU
Chemical Name:
2-methoxy-1,3,5-trinitrobenzene
CAS Number:
606-35-9
Molecular Formula:
C7H5N3O7
Molecular Weight:
243.1305
MDL Number:
MFCD00188419
IUPAC Name:
2-methoxy-1,3,5-trinitrobenzene
InChI:
InChI=1S/C7H5N3O7/c1-17-7-5(9(13)14)2-4(8(11)12)3-6(7)10(15)16/h2-3H,1H3
InChI Key:
FMXDVBRYDYFVGS-UHFFFAOYSA-N
SMILES:
COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
36950
UN Number:
0213
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.013g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.131g/mol
Monoisotopic Mass:
243.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| The ambident reactivity of 2,4,6-tris(trifluoromethanesulfonyl)anisole in methanol: using the SO2CF3 group as a tool to reach the superelectrophilic dimension in sigma-complexation processes. | Chemistry (Weinheim an der Bergstrasse, Germany) 20091109 |
| Stability of nitroaromatic specialty explosives in reversed-phase liquid chromatographic systems. | Journal of hazardous materials 20090315 |
| Electrophilicity of aromatic triflones in sigma-complexation processes. | Organic & biomolecular chemistry 20081107 |
| Oxygen carriers based on electrochemically reduced trinitroarenes. | Physical chemistry chemical physics : PCCP 20080814 |
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