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178979-24-3 | 1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-1-(fluoromethyl)-4-(1-methylethyl)-
CAS No: 178979-24-3 Catalog No: AG0026K1 MDL No:
Product Description
Catalog Number:
AG0026K1
Chemical Name:
1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-1-(fluoromethyl)-4-(1-methylethyl)-
CAS Number:
178979-24-3
Molecular Formula:
C14H15Cl2FN2OS
Molecular Weight:
349.2511
IUPAC Name:
[5-(3,5-dichlorophenyl)sulfanyl-1-(fluoromethyl)-4-propan-2-ylimidazol-2-yl]methanol
InChI:
InChI=1S/C14H15Cl2FN2OS/c1-8(2)13-14(19(7-17)12(6-20)18-13)21-11-4-9(15)3-10(16)5-11/h3-5,8,20H,6-7H2,1-2H3
InChI Key:
BFYLIGAPFMSTFQ-UHFFFAOYSA-N
SMILES:
OCc1nc(c(n1CF)Sc1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.027g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.245g/mol
Monoisotopic Mass:
348.027g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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