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69311-70-2 | 2-iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether
CAS No: 69311-70-2 Catalog No: AG00FT4V MDL No:
Product Description
Catalog Number:
AG00FT4V
Chemical Name:
2-iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether
CAS Number:
69311-70-2
Molecular Formula:
C16H14IN3O7
Molecular Weight:
487.2027
IUPAC Name:
4-(2,4-dinitrophenoxy)-3-iodo-2-methyl-1-nitro-5-propan-2-ylbenzene
InChI:
InChI=1S/C16H14IN3O7/c1-8(2)11-7-12(19(23)24)9(3)15(17)16(11)27-14-5-4-10(18(21)22)6-13(14)20(25)26/h4-8H,1-3H3
InChI Key:
JWEBDWJHYHAROA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Oc1c(cc(c(c1I)C)[N+](=O)[O-])C(C)C)[N+](=O)[O-]
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.988g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
487.206g/mol
Monoisotopic Mass:
486.988g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| H2O2 intensifies CN(-)-induced apoptosis in pea leaves. | Biochemistry. Biokhimiia 20060401 |
| Cytochrome c is reduced mainly by plastoquinol and not by superoxide in thylakoid membranes at low and medium light intensities: its specific interaction with thylakoid membrane lipids. | The Biochemical journal 20031001 |
| Participation of chloroplasts in plant apoptosis. | Bioscience reports 20030101 |
| Involvement of chloroplasts in the programmed death of plant cells. | Biochemistry. Biokhimiia 20020601 |
| Inhibitor 'double occupancy' in the Q(o) pocket of the chloroplast cytochrome b6f complex. | Biochemistry 20011113 |
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