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Home > Indoles and Oxindole > 644979-02-2
644979-02-2 | 3H-Indolium, 1,2,3,3-tetramethyl-5-sulfo-, iodide
CAS No: 644979-02-2 Catalog No: AG00H6UO MDL No:MFCD26143011
Product Description
Catalog Number:
AG00H6UO
Chemical Name:
3H-Indolium, 1,2,3,3-tetramethyl-5-sulfo-, iodide
CAS Number:
644979-02-2
Molecular Formula:
C12H16INO3S
Molecular Weight:
381.2298
MDL Number:
MFCD26143011
IUPAC Name:
1,2,3,3-tetramethylindol-1-ium-5-sulfonic acid;iodide
InChI:
InChI=1S/C12H15NO3S.HI/c1-8-12(2,3)10-7-9(17(14,15)16)5-6-11(10)13(8)4;/h5-7H,1-4H3;1H
InChI Key:
NWSWGUAHXDVBLN-UHFFFAOYSA-N
SMILES:
C[N+]1=C(C)C(c2c1ccc(c2)S(=O)(=O)O)(C)C.[I-]
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.99g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.228g/mol
Monoisotopic Mass:
380.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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