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71821-15-3 | 1-(2-(((4-Bromophenyl)thio)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate
CAS No: 71821-15-3 Catalog No: AG005FGA MDL No:
Product Description
Catalog Number:
AG005FGA
Chemical Name:
1-(2-(((4-Bromophenyl)thio)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate
CAS Number:
71821-15-3
Molecular Formula:
C18H16BrCl2N3O4S
Molecular Weight:
521.2123
IUPAC Name:
1-[2-[(4-bromophenyl)sulfanylmethoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
InChI:
InChI=1S/C18H15BrCl2N2OS.HNO3/c19-13-1-4-15(5-2-13)25-12-24-18(10-23-8-7-22-11-23)16-6-3-14(20)9-17(16)21;2-1(3)4/h1-9,11,18H,10,12H2;(H,2,3,4)
InChI Key:
DKMVFPWZAPTTDL-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)SCOC(c1ccc(cc1Cl)Cl)Cn1ccnc1.[O-][N+](=O)O
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.942g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
521.207g/mol
Monoisotopic Mass:
518.942g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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