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1207547-64-5 | 4-iodo-2-propyl-1H-imidazole
CAS No: 1207547-64-5 Catalog No: AG01DGVR MDL No:
Product Description
Catalog Number:
AG01DGVR
Chemical Name:
4-iodo-2-propyl-1H-imidazole
CAS Number:
1207547-64-5
Molecular Formula:
C6H9IN2
Molecular Weight:
236.0535
IUPAC Name:
5-iodo-2-propyl-1H-imidazole
InChI:
InChI=1S/C6H9IN2/c1-2-3-6-8-4-5(7)9-6/h4H,2-3H2,1H3,(H,8,9)
InChI Key:
GQRAAXDRAXWEAO-UHFFFAOYSA-N
SMILES:
CCCc1nc(c[nH]1)I
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.981g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.056g/mol
Monoisotopic Mass:
235.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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