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25893-90-7 | 3-BENZYL-1,4,5-TRIPHENYLIMIDAZOLIUM PERCHLORATE
CAS No: 25893-90-7 Catalog No: AG007NIT MDL No:
Product Description
Catalog Number:
AG007NIT
Chemical Name:
3-BENZYL-1,4,5-TRIPHENYLIMIDAZOLIUM PERCHLORATE
CAS Number:
25893-90-7
Molecular Formula:
C28H23ClN2O4
Molecular Weight:
486.9462
IUPAC Name:
1-benzyl-3,4,5-triphenylimidazol-1-ium;perchlorate
InChI:
InChI=1S/C28H23N2.ClHO4/c1-5-13-23(14-6-1)21-29-22-30(26-19-11-4-12-20-26)28(25-17-9-3-10-18-25)27(29)24-15-7-2-8-16-24;2-1(3,4)5/h1-20,22H,21H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
MOOOLSWZAXBDEW-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)Cn1c[n+](c(c1c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.135g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.952g/mol
Monoisotopic Mass:
486.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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