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178979-49-2 | 1H-Imidazole-2-methanol, 4-[(3-chlorophenyl)thio]-1-methyl-5-(1-methylethyl)-, carbamate (ester) (9CI)
CAS No: 178979-49-2 Catalog No: AG0026KT MDL No:
Product Description
Catalog Number:
AG0026KT
Chemical Name:
1H-Imidazole-2-methanol, 4-[(3-chlorophenyl)thio]-1-methyl-5-(1-methylethyl)-, carbamate (ester) (9CI)
CAS Number:
178979-49-2
IUPAC Name:
[4-(3-chlorophenyl)sulfanyl-1-methyl-5-propan-2-ylimidazol-2-yl]methyl carbamate
InChI:
InChI=1S/C15H18ClN3O2S/c1-9(2)13-14(22-11-6-4-5-10(16)7-11)18-12(19(13)3)8-21-15(17)20/h4-7,9H,8H2,1-3H3,(H2,17,20)
InChI Key:
YYJKSRMNFPDIAX-UHFFFAOYSA-N
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.081g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.838g/mol
Monoisotopic Mass:
339.081g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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