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20936-81-6

20936-81-6 | 4H-Pyrazolium, 1-ethyl-3,4,4,5-tetramethyl-, iodide (1:1)

CAS No: 20936-81-6 Catalog No: AG002K7Q MDL No:

Product Description

Catalog Number:
AG002K7Q
Chemical Name:
4H-Pyrazolium, 1-ethyl-3,4,4,5-tetramethyl-, iodide (1:1)
CAS Number:
20936-81-6
Molecular Formula:
C9H17IN2
Molecular Weight:
280.1492
IUPAC Name:
1-ethyl-3,4,4,5-tetramethylpyrazol-1-ium;iodide
InChI:
InChI=1S/C9H17N2.HI/c1-6-11-8(3)9(4,5)7(2)10-11;/h6H2,1-5H3;1H/q+1;/p-1
InChI Key:
BUVTVHJVVYPIPI-UHFFFAOYSA-M
SMILES:
CC[N+]1=C(C)C(C(=N1)C)(C)C.[I-]

Properties

Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.044g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.153g/mol
Monoisotopic Mass:
280.044g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
15.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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