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83337-90-0 | 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylethyloxy)-2-propanol oxalate
CAS No: 83337-90-0 Catalog No: AG004STM MDL No:
Product Description
Catalog Number:
AG004STM
Chemical Name:
2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylethyloxy)-2-propanol oxalate
CAS Number:
83337-90-0
Molecular Formula:
C22H22Cl2N2O6
Molecular Weight:
481.3259
IUPAC Name:
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(2-phenylethoxy)propan-2-ol;oxalic acid
InChI:
InChI=1S/C20H20Cl2N2O2.C2H2O4/c21-17-6-7-18(19(22)12-17)20(25,13-24-10-9-23-15-24)14-26-11-8-16-4-2-1-3-5-16;3-1(4)2(5)6/h1-7,9-10,12,15,25H,8,11,13-14H2;(H,3,4)(H,5,6)
InChI Key:
WKUATSQCNAPJTK-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.Clc1ccc(c(c1)Cl)C(Cn1cncc1)(COCCc1ccccc1)O
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.085g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
481.326g/mol
Monoisotopic Mass:
480.085g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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