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7106-74-3 | 5-iodo-6-nitro-2H-1,3-benzodioxole
CAS No: 7106-74-3 Catalog No: AG019PNN MDL No:MFCD00188400
Product Description
Catalog Number:
AG019PNN
Chemical Name:
5-iodo-6-nitro-2H-1,3-benzodioxole
CAS Number:
7106-74-3
Molecular Formula:
C7H4INO4
Molecular Weight:
293.0154
MDL Number:
MFCD00188400
IUPAC Name:
5-iodo-6-nitro-1,3-benzodioxole
InChI:
InChI=1S/C7H4INO4/c8-4-1-6-7(13-3-12-6)2-5(4)9(10)11/h1-2H,3H2
InChI Key:
IHRDPDCTXSIYFC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2OCOc2cc1I
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.919g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.016g/mol
Monoisotopic Mass:
292.919g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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