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Home > Imidazoles > 1221342-04-6
1221342-04-6 | [2-methanesulfonyl-1-(propan-2-yl)-1H-imidazol-5-yl]methanol
CAS No: 1221342-04-6 Catalog No: AG00JTVY MDL No:MFCD14707583
Product Description
Catalog Number:
AG00JTVY
Chemical Name:
[2-methanesulfonyl-1-(propan-2-yl)-1H-imidazol-5-yl]methanol
CAS Number:
1221342-04-6
Molecular Formula:
C8H14N2O3S
Molecular Weight:
218.2734
MDL Number:
MFCD14707583
IUPAC Name:
(2-methylsulfonyl-3-propan-2-ylimidazol-4-yl)methanol
InChI:
InChI=1S/C8H14N2O3S/c1-6(2)10-7(5-11)4-9-8(10)14(3,12)13/h4,6,11H,5H2,1-3H3
InChI Key:
RKORXCVMOMWAKB-UHFFFAOYSA-N
SMILES:
OCc1cnc(n1C(C)C)S(=O)(=O)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.073g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.271g/mol
Monoisotopic Mass:
218.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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