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Home > Imidazoles > 824431-88-1
824431-88-1 | 1H-Imidazole, 2-cyclopropyl-4-iodo-1-(1-methylethyl)-
CAS No: 824431-88-1 Catalog No: AG004VZP MDL No:
Product Description
Catalog Number:
AG004VZP
Chemical Name:
1H-Imidazole, 2-cyclopropyl-4-iodo-1-(1-methylethyl)-
CAS Number:
824431-88-1
Molecular Formula:
C9H13IN2
Molecular Weight:
276.1174
IUPAC Name:
2-cyclopropyl-4-iodo-1-propan-2-ylimidazole
InChI:
InChI=1S/C9H13IN2/c1-6(2)12-5-8(10)11-9(12)7-3-4-7/h5-7H,3-4H2,1-2H3
InChI Key:
YGFBYNWESVYIKL-UHFFFAOYSA-N
SMILES:
CC(n1cc(nc1C1CC1)I)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.012g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.121g/mol
Monoisotopic Mass:
276.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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