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95664-65-6 | Iodonium, (4-nitrophenyl)phenyl-, iodide
CAS No: 95664-65-6 Catalog No: AG006BXQ MDL No:
Product Description
Catalog Number:
AG006BXQ
Chemical Name:
Iodonium, (4-nitrophenyl)phenyl-, iodide
CAS Number:
95664-65-6
Molecular Formula:
C12H9I2NO2
Molecular Weight:
453.0143
IUPAC Name:
(4-nitrophenyl)-phenyliodanium;iodide
InChI:
InChI=1S/C12H9INO2.HI/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;/h1-9H;1H/q+1;/p-1
InChI Key:
MFPMKJQAIDRMPH-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1ccc(cc1)[I+]c1ccccc1.[I-]
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.872g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.018g/mol
Monoisotopic Mass:
452.872g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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