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89563-22-4 | Benzene, 1-iodo-3,5-dinitro-2-phenoxy-
CAS No: 89563-22-4 Catalog No: AG0086RA MDL No:
Product Description
Catalog Number:
AG0086RA
Chemical Name:
Benzene, 1-iodo-3,5-dinitro-2-phenoxy-
CAS Number:
89563-22-4
Molecular Formula:
C12H7IN2O5
Molecular Weight:
386.0988
IUPAC Name:
1-iodo-3,5-dinitro-2-phenoxybenzene
InChI:
InChI=1S/C12H7IN2O5/c13-10-6-8(14(16)17)7-11(15(18)19)12(10)20-9-4-2-1-3-5-9/h1-7H
InChI Key:
VDTKZNVXBILUPJ-UHFFFAOYSA-N
SMILES:
Ic1cc(cc(c1Oc1ccccc1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.94g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.101g/mol
Monoisotopic Mass:
385.94g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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