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7594-23-2 | 2-tert-Butyl-4,6-diphenyl--pyran-1-ylium tetrafluoroborate
CAS No: 7594-23-2 Catalog No: AG01EXAZ MDL No:
Product Description
Catalog Number:
AG01EXAZ
Chemical Name:
2-tert-Butyl-4,6-diphenyl--pyran-1-ylium tetrafluoroborate
CAS Number:
7594-23-2
Molecular Formula:
C21H21BF4O
Molecular Weight:
376.1955
IUPAC Name:
2-tert-butyl-4,6-diphenylpyrylium;tetrafluoroborate
InChI:
InChI=1S/C21H21O.BF4/c1-21(2,3)20-15-18(16-10-6-4-7-11-16)14-19(22-20)17-12-8-5-9-13-17;2-1(3,4)5/h4-15H,1-3H3;/q+1;-1
InChI Key:
JPLLSGBIMJPGBG-UHFFFAOYSA-N
SMILES:
CC(c1cc(cc([o+]1)c1ccccc1)c1ccccc1)(C)C.F[B-](F)(F)F
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.162g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.202g/mol
Monoisotopic Mass:
376.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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