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Home > Imidazoles > 1221341-55-4
1221341-55-4 | [2-methanesulfonyl-1-(2-phenylethyl)-1H-imidazol-5-yl]methanol
CAS No: 1221341-55-4 Catalog No: AG00JTW2 MDL No:MFCD14707587
Product Description
Catalog Number:
AG00JTW2
Chemical Name:
[2-methanesulfonyl-1-(2-phenylethyl)-1H-imidazol-5-yl]methanol
CAS Number:
1221341-55-4
Molecular Formula:
C13H16N2O3S
Molecular Weight:
280.3427
MDL Number:
MFCD14707587
IUPAC Name:
[2-methylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methanol
InChI:
InChI=1S/C13H16N2O3S/c1-19(17,18)13-14-9-12(10-16)15(13)8-7-11-5-3-2-4-6-11/h2-6,9,16H,7-8,10H2,1H3
InChI Key:
OQZYUYPYNBBQLX-UHFFFAOYSA-N
SMILES:
OCc1cnc(n1CCc1ccccc1)S(=O)(=O)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.342g/mol
Monoisotopic Mass:
280.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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