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1010835-79-6

1010835-79-6 | 2-(tert-butyl)-4-iodo-1H-imidazole

CAS No: 1010835-79-6 Catalog No: AG01DHNJ MDL No:

Product Description

Catalog Number:
AG01DHNJ
Chemical Name:
2-(tert-butyl)-4-iodo-1H-imidazole
CAS Number:
1010835-79-6
Molecular Formula:
C7H11IN2
Molecular Weight:
250.0801
IUPAC Name:
2-tert-butyl-5-iodo-1H-imidazole
InChI:
InChI=1S/C7H11IN2/c1-7(2,3)6-9-4-5(8)10-6/h4H,1-3H3,(H,9,10)
InChI Key:
ITJOIFLXXGBTMU-UHFFFAOYSA-N
SMILES:
CC(c1[nH]cc(n1)I)(C)C

Properties

Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.997g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.083g/mol
Monoisotopic Mass:
249.997g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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