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Home > Imidazoles > 1221342-54-6
1221342-54-6 | [2-methanesulfonyl-1-(2-methylpropyl)-1H-imidazol-5-yl]methanol
CAS No: 1221342-54-6 Catalog No: AG00JTVX MDL No:MFCD14707582
Product Description
Catalog Number:
AG00JTVX
Chemical Name:
[2-methanesulfonyl-1-(2-methylpropyl)-1H-imidazol-5-yl]methanol
CAS Number:
1221342-54-6
Molecular Formula:
C9H16N2O3S
Molecular Weight:
232.2999
MDL Number:
MFCD14707582
IUPAC Name:
[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methanol
InChI:
InChI=1S/C9H16N2O3S/c1-7(2)5-11-8(6-12)4-10-9(11)15(3,13)14/h4,7,12H,5-6H2,1-3H3
InChI Key:
DTSCISAGAHXROT-UHFFFAOYSA-N
SMILES:
OCc1cnc(n1CC(C)C)S(=O)(=O)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.298g/mol
Monoisotopic Mass:
232.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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