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13179-90-3 | Pyrylium, 2,3,4,5,6-pentaphenyl-, bromide (1:1)
CAS No: 13179-90-3 Catalog No: AG000ZQU MDL No:
Product Description
Catalog Number:
AG000ZQU
Chemical Name:
Pyrylium, 2,3,4,5,6-pentaphenyl-, bromide (1:1)
CAS Number:
13179-90-3
Molecular Formula:
C35H25BrO
Molecular Weight:
541.4764
IUPAC Name:
2,3,4,5,6-pentakis-phenylpyrylium;bromide
InChI:
InChI=1S/C35H25O.BrH/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)36-35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;/h1-25H;1H/q+1;/p-1
InChI Key:
YEKZDKNTAXFVMS-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)c1[o+]c(c2ccccc2)c(c(c1c1ccccc1)c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
540.109g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
541.488g/mol
Monoisotopic Mass:
540.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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