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2870-38-4

2870-38-4 | Benzoselenazolium, 3-ethyl-5-methoxy-2-methyl-, iodide (1:1)

CAS No: 2870-38-4 Catalog No: AG002W6Q MDL No:

Product Description

Catalog Number:
AG002W6Q
Chemical Name:
Benzoselenazolium, 3-ethyl-5-methoxy-2-methyl-, iodide (1:1)
CAS Number:
2870-38-4
Molecular Formula:
C11H14INOSe
Molecular Weight:
382.0994
IUPAC Name:
3-ethyl-5-methoxy-2-methyl-1,3-benzoselenazol-3-ium;iodide
InChI:
InChI=1S/C11H14NOSe.HI/c1-4-12-8(2)14-11-6-5-9(13-3)7-10(11)12;/h5-7H,4H2,1-3H3;1H/q+1;/p-1
InChI Key:
SZOSBVSIPSYVCP-UHFFFAOYSA-M
SMILES:
COc1ccc2c(c1)[n+](CC)c([se]2)C.[I-]

Properties

Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.929g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.114g/mol
Monoisotopic Mass:
382.929g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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