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81640-35-9 | 2,3,4,5-Tetraphenyl-1,3-oxazol-3-ium tetrafluoroborate
CAS No: 81640-35-9 Catalog No: AG01EXIH MDL No:
Product Description
Catalog Number:
AG01EXIH
Chemical Name:
2,3,4,5-Tetraphenyl-1,3-oxazol-3-ium tetrafluoroborate
CAS Number:
81640-35-9
Molecular Formula:
C27H20BF4NO
Molecular Weight:
461.2584
IUPAC Name:
2,3,4,5-tetraphenyl-1,3-oxazol-3-ium;tetrafluoroborate
InChI:
InChI=1S/C27H20NO.BF4/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)29-27(23-17-9-3-10-18-23)28(25)24-19-11-4-12-20-24;2-1(3,4)5/h1-20H;/q+1;-1
InChI Key:
KURUAZGMBYWASW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1oc(c([n+]1c1ccccc1)c1ccccc1)c1ccccc1.F[B-](F)(F)F
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.157g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.267g/mol
Monoisotopic Mass:
461.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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