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178980-07-9 | 1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)sulfonyl]-4-(1-methylethyl)-
CAS No: 178980-07-9 Catalog No: AG0026M7 MDL No:
Product Description
Catalog Number:
AG0026M7
Chemical Name:
1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)sulfonyl]-4-(1-methylethyl)-
CAS Number:
178980-07-9
Molecular Formula:
C13H14Cl2N2O3S
Molecular Weight:
349.2329
IUPAC Name:
[4-(3,5-dichlorophenyl)sulfonyl-5-propan-2-yl-1H-imidazol-2-yl]methanol
InChI:
InChI=1S/C13H14Cl2N2O3S/c1-7(2)12-13(17-11(6-18)16-12)21(19,20)10-4-8(14)3-9(15)5-10/h3-5,7,18H,6H2,1-2H3,(H,16,17)
InChI Key:
UZBMAVAQARKNNU-UHFFFAOYSA-N
SMILES:
OCc1nc(c([nH]1)S(=O)(=O)c1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.01g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.226g/mol
Monoisotopic Mass:
348.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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