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Home > Imidazoles > 959239-39-5
959239-39-5 | (1-butyl-2-methanesulfonyl-1H-imidazol-5-yl)methanol
CAS No: 959239-39-5 Catalog No: AG00JTWE MDL No:MFCD09871301
Product Description
Catalog Number:
AG00JTWE
Chemical Name:
(1-butyl-2-methanesulfonyl-1H-imidazol-5-yl)methanol
CAS Number:
959239-39-5
Molecular Formula:
C9H16N2O3S
Molecular Weight:
232.2999
MDL Number:
MFCD09871301
IUPAC Name:
(3-butyl-2-methylsulfonylimidazol-4-yl)methanol
InChI:
InChI=1S/C9H16N2O3S/c1-3-4-5-11-8(7-12)6-10-9(11)15(2,13)14/h6,12H,3-5,7H2,1-2H3
InChI Key:
UZMMKVIDOJMKLA-UHFFFAOYSA-N
SMILES:
CCCCn1c(CO)cnc1S(=O)(=O)C
Properties
Complexity:
286
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:
5
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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