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Home > Imidazoles > 1221342-15-9
1221342-15-9 | [1-(butan-2-yl)-2-methanesulfonyl-1H-imidazol-5-yl]methanol
CAS No: 1221342-15-9 Catalog No: AG00JTWD MDL No:MFCD14707598
Product Description
Catalog Number:
AG00JTWD
Chemical Name:
[1-(butan-2-yl)-2-methanesulfonyl-1H-imidazol-5-yl]methanol
CAS Number:
1221342-15-9
Molecular Formula:
C9H16N2O3S
Molecular Weight:
232.2999
MDL Number:
MFCD14707598
IUPAC Name:
(3-butan-2-yl-2-methylsulfonylimidazol-4-yl)methanol
InChI:
InChI=1S/C9H16N2O3S/c1-4-7(2)11-8(6-12)5-10-9(11)15(3,13)14/h5,7,12H,4,6H2,1-3H3
InChI Key:
WYGYCCODMCHGCH-UHFFFAOYSA-N
SMILES:
CCC(n1c(CO)cnc1S(=O)(=O)C)C
Properties
Complexity:
299
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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