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Home > Imidazoles > 1221341-77-0
1221341-77-0 | [2-methanesulfonyl-1-(3-methylbutyl)-1H-imidazol-5-yl]methanol
CAS No: 1221341-77-0 Catalog No: AG00JTW7 MDL No:MFCD14707592
Product Description
Catalog Number:
AG00JTW7
Chemical Name:
[2-methanesulfonyl-1-(3-methylbutyl)-1H-imidazol-5-yl]methanol
CAS Number:
1221341-77-0
Molecular Formula:
C10H18N2O3S
Molecular Weight:
246.3265
MDL Number:
MFCD14707592
IUPAC Name:
[3-(3-methylbutyl)-2-methylsulfonylimidazol-4-yl]methanol
InChI:
InChI=1S/C10H18N2O3S/c1-8(2)4-5-12-9(7-13)6-11-10(12)16(3,14)15/h6,8,13H,4-5,7H2,1-3H3
InChI Key:
VACGHAXPRWEPAF-UHFFFAOYSA-N
SMILES:
OCc1cnc(n1CCC(C)C)S(=O)(=O)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.104g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.325g/mol
Monoisotopic Mass:
246.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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