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178980-01-3 | 1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)sulfinyl]-1-methyl-4-(1-methylethyl)-
CAS No: 178980-01-3 Catalog No: AG0026MC MDL No:
Product Description
Catalog Number:
AG0026MC
Chemical Name:
1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)sulfinyl]-1-methyl-4-(1-methylethyl)-
CAS Number:
178980-01-3
Molecular Formula:
C14H16Cl2N2O2S
Molecular Weight:
347.2600
IUPAC Name:
[5-(3,5-dichlorophenyl)sulfinyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanol
InChI:
InChI=1S/C14H16Cl2N2O2S/c1-8(2)13-14(18(3)12(7-19)17-13)21(20)11-5-9(15)4-10(16)6-11/h4-6,8,19H,7H2,1-3H3
InChI Key:
RAMSDGDLLYSJTO-UHFFFAOYSA-N
SMILES:
OCc1nc(c(n1C)S(=O)c1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.031g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.254g/mol
Monoisotopic Mass:
346.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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