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29270-47-1 | Benzene, 1,2-diiodo-4,5-dinitro-
CAS No: 29270-47-1 Catalog No: AG002XWO MDL No:
Product Description
Catalog Number:
AG002XWO
Chemical Name:
Benzene, 1,2-diiodo-4,5-dinitro-
CAS Number:
29270-47-1
Molecular Formula:
C6H2I2N2O4
Molecular Weight:
419.9000
IUPAC Name:
1,2-diiodo-4,5-dinitrobenzene
InChI:
InChI=1S/C6H2I2N2O4/c7-3-1-5(9(11)12)6(10(13)14)2-4(3)8/h1-2H
InChI Key:
KAQQACPCRNDISO-UHFFFAOYSA-N
SMILES:
Ic1cc([N+](=O)[O-])c(cc1I)[N+](=O)[O-]
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.81g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.901g/mol
Monoisotopic Mass:
419.81g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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