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178979-46-9 | 1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-1-(fluoromethyl)-4-(1-methylethyl)-, carbamate (ester) (9CI)
CAS No: 178979-46-9 Catalog No: AG0026KV MDL No:
Product Description
Catalog Number:
AG0026KV
Chemical Name:
1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-1-(fluoromethyl)-4-(1-methylethyl)-, carbamate (ester) (9CI)
CAS Number:
178979-46-9
Molecular Formula:
C15H16Cl2FN3O2S
Molecular Weight:
392.2758
IUPAC Name:
[5-(3,5-dichlorophenyl)sulfanyl-1-(fluoromethyl)-4-propan-2-ylimidazol-2-yl]methyl carbamate
InChI:
InChI=1S/C15H16Cl2FN3O2S/c1-8(2)13-14(24-11-4-9(16)3-10(17)5-11)21(7-18)12(20-13)6-23-15(19)22/h3-5,8H,6-7H2,1-2H3,(H2,19,22)
InChI Key:
BPUWSEBIEIWYMN-UHFFFAOYSA-N
SMILES:
FCn1c(COC(=O)N)nc(c1Sc1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.032g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.27g/mol
Monoisotopic Mass:
391.032g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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