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262426-02-8 | 1H-Imidazolium, 3,3'-methylenebis[1-(4-methoxyphenyl)-, bromide (1:2)
CAS No: 262426-02-8 Catalog No: AG002SFC MDL No:
Product Description
Catalog Number:
AG002SFC
Chemical Name:
1H-Imidazolium, 3,3'-methylenebis[1-(4-methoxyphenyl)-, bromide (1:2)
CAS Number:
262426-02-8
Molecular Formula:
C21H26Br2N4O2
Molecular Weight:
526.2647
IUPAC Name:
3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2-dihydroimidazol-1-ium-1-yl]methyl]-1,2-dihydroimidazol-1-ium;dibromide
InChI:
InChI=1S/C21H24N4O2.2BrH/c1-26-20-7-3-18(4-8-20)24-13-11-22(16-24)15-23-12-14-25(17-23)19-5-9-21(27-2)10-6-19;;/h3-14H,15-17H2,1-2H3;2*1H
InChI Key:
FXNHDXDNWWGTQC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)[NH+]1C=CN(C1)CN1C=C[NH+](C1)c1ccc(cc1)OC.[Br-].[Br-]
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
526.04g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
526.273g/mol
Monoisotopic Mass:
524.042g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
33.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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