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178980-06-8 | 1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)sulfinyl]-4-(1-methylethyl)-
CAS No: 178980-06-8 Catalog No: AG0026M8 MDL No:
Product Description
Catalog Number:
AG0026M8
Chemical Name:
1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)sulfinyl]-4-(1-methylethyl)-
CAS Number:
178980-06-8
Molecular Formula:
C13H14Cl2N2O2S
Molecular Weight:
333.2335
IUPAC Name:
[4-(3,5-dichlorophenyl)sulfinyl-5-propan-2-yl-1H-imidazol-2-yl]methanol
InChI:
InChI=1S/C13H14Cl2N2O2S/c1-7(2)12-13(17-11(6-18)16-12)20(19)10-4-8(14)3-9(15)5-10/h3-5,7,18H,6H2,1-2H3,(H,16,17)
InChI Key:
FGOGPGFFTGCMAW-UHFFFAOYSA-N
SMILES:
OCc1nc(c([nH]1)S(=O)c1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.015g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.227g/mol
Monoisotopic Mass:
332.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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