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73286-95-0 | 2-tert-Butyl-4-phenyl-5,6-dihydrobenzo[h]-chromenium tetrafluoroborate
CAS No: 73286-95-0 Catalog No: AG01EX89 MDL No:
Product Description
Catalog Number:
AG01EX89
Chemical Name:
2-tert-Butyl-4-phenyl-5,6-dihydrobenzo[h]-chromenium tetrafluoroborate
CAS Number:
73286-95-0
Molecular Formula:
C23H23BF4O
Molecular Weight:
402.2327
IUPAC Name:
2-tert-butyl-4-phenyl-5,6-dihydrobenzo[h]chromen-1-ium;tetrafluoroborate
InChI:
InChI=1S/C23H23O.BF4/c1-23(2,3)21-15-20(16-9-5-4-6-10-16)19-14-13-17-11-7-8-12-18(17)22(19)24-21;2-1(3,4)5/h4-12,15H,13-14H2,1-3H3;/q+1;-1
InChI Key:
HENXLVOFICGMOO-UHFFFAOYSA-N
SMILES:
CC(c1cc(c2ccccc2)c2c([o+]1)c1ccccc1CC2)(C)C.F[B-](F)(F)F
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.178g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.24g/mol
Monoisotopic Mass:
402.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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