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5418-63-3

5418-63-3 | 1,2,3,3-Tetramethyl-3H-indol-1-ium iodide

CAS No: 5418-63-3 Catalog No: AG0032JX MDL No:MFCD00013333

Product Description

Catalog Number:
AG0032JX
Chemical Name:
1,2,3,3-Tetramethyl-3H-indol-1-ium iodide
CAS Number:
5418-63-3
Molecular Formula:
C12H16IN
Molecular Weight:
301.1666
MDL Number:
MFCD00013333
IUPAC Name:
1,2,3,3-tetramethylindol-1-ium;iodide
InChI:
InChI=1S/C12H16N.HI/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;/h5-8H,1-4H3;1H/q+1;/p-1
InChI Key:
HCYIOKVZAATOEW-UHFFFAOYSA-M
SMILES:
C[N+]1=C(C)C(c2c1cccc2)(C)C.[I-]
EC Number:
226-526-2
NSC Number:
10498

Properties

Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.033g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.171g/mol
Monoisotopic Mass:
301.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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