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114499-47-7 | 1H-Imidazole, 4,5-bis(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)-
CAS No: 114499-47-7 Catalog No: AG000EJU MDL No:
Product Description
Catalog Number:
AG000EJU
Chemical Name:
1H-Imidazole, 4,5-bis(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)-
CAS Number:
114499-47-7
Molecular Formula:
C23H15ClN2O4
Molecular Weight:
418.8292
IUPAC Name:
4,5-bis(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)-1H-imidazole
InChI:
InChI=1S/C23H15ClN2O4/c24-16-4-2-1-3-15(16)23-25-21(13-5-7-17-19(9-13)29-11-27-17)22(26-23)14-6-8-18-20(10-14)30-12-28-18/h1-10H,11-12H2,(H,25,26)
InChI Key:
PUJGEUIKFRVXLT-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1[nH]c(c(n1)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.072g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.833g/mol
Monoisotopic Mass:
418.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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