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71820-99-0 | 1-(2-((2-Chlorophenoxy)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole mononitrate
CAS No: 71820-99-0 Catalog No: AG005FGC MDL No:
Product Description
Catalog Number:
AG005FGC
Chemical Name:
1-(2-((2-Chlorophenoxy)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole mononitrate
CAS Number:
71820-99-0
Molecular Formula:
C18H16Cl3N3O5
Molecular Weight:
460.6957
IUPAC Name:
1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
InChI:
InChI=1S/C18H15Cl3N2O2.HNO3/c19-13-5-6-14(16(21)9-13)18(10-23-8-7-22-11-23)25-12-24-17-4-2-1-3-15(17)20;2-1(3)4/h1-9,11,18H,10,12H2;(H,2,3,4)
InChI Key:
WFLAFDYAOCFTOZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C(Cn1cncc1)OCOc1ccccc1Cl.[O-][N+](=O)O
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.016g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
460.692g/mol
Monoisotopic Mass:
459.016g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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