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139285-00-0 | 1H-Imidazole-4-methanol, 1-[(4-methylphenyl)sulfonyl]-
CAS No: 139285-00-0 Catalog No: AG001AOJ MDL No:
Product Description
Catalog Number:
AG001AOJ
Chemical Name:
1H-Imidazole-4-methanol, 1-[(4-methylphenyl)sulfonyl]-
CAS Number:
139285-00-0
Molecular Formula:
C11H12N2O3S
Molecular Weight:
252.2896
IUPAC Name:
[1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol
InChI:
InChI=1S/C11H12N2O3S/c1-9-2-4-11(5-3-9)17(15,16)13-6-10(7-14)12-8-13/h2-6,8,14H,7H2,1H3
InChI Key:
LJKGYZKXYOOYLW-UHFFFAOYSA-N
SMILES:
OCc1ncn(c1)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.288g/mol
Monoisotopic Mass:
252.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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