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85224-42-6 | Benzene, 2-azido-1,3-diiodo-5-nitro-
CAS No: 85224-42-6 Catalog No: AG004M3Q MDL No:
Product Description
Catalog Number:
AG004M3Q
Chemical Name:
Benzene, 2-azido-1,3-diiodo-5-nitro-
CAS Number:
85224-42-6
Molecular Formula:
C6H2I2N4O2
Molecular Weight:
415.9146
IUPAC Name:
2-azido-1,3-diiodo-5-nitrobenzene
InChI:
InChI=1S/C6H2I2N4O2/c7-4-1-3(12(13)14)2-5(8)6(4)10-11-9/h1-2H
InChI Key:
RIGKBLLNOUKGOV-UHFFFAOYSA-N
SMILES:
Ic1cc(cc(c1N=[N+]=[N-])I)[N+](=O)[O-]
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.827g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.917g/mol
Monoisotopic Mass:
415.827g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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