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92-20-6 | [2-(3,4-dimethoxyphenyl)ethyl](dimethyl)selenonium iodide
CAS No: 92-20-6 Catalog No: AG006FO2 MDL No:
Product Description
Catalog Number:
AG006FO2
Chemical Name:
[2-(3,4-dimethoxyphenyl)ethyl](dimethyl)selenonium iodide
CAS Number:
92-20-6
Molecular Formula:
C12H19IO2Se
Molecular Weight:
401.1425
IUPAC Name:
N-(2,5-dimethoxy-4-nitrophenyl)benzamide
InChI:
InChI=1S/C15H14N2O5/c1-21-13-9-12(17(19)20)14(22-2)8-11(13)16-15(18)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,18)
InChI Key:
JCKZOGUHQXHGTO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CC[Se+](C)C.[I-]
EC Number:
202-135-2
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.286g/mol
Monoisotopic Mass:
302.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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