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4577-99-5 | 2,6-Bis(4-bromophenyl)-4-phenylpyran-1-ylium tetrafluoroborate
CAS No: 4577-99-5 Catalog No: AG01EW2F MDL No:
Product Description
Catalog Number:
AG01EW2F
Chemical Name:
2,6-Bis(4-bromophenyl)-4-phenylpyran-1-ylium tetrafluoroborate
CAS Number:
4577-99-5
Molecular Formula:
C23H15BBr2F4O
Molecular Weight:
553.9772
IUPAC Name:
2,6-bis(4-bromophenyl)-4-phenylpyrylium;tetrafluoroborate
InChI:
InChI=1S/C23H15Br2O.BF4/c24-20-10-6-17(7-11-20)22-14-19(16-4-2-1-3-5-16)15-23(26-22)18-8-12-21(25)13-9-18;2-1(3,4)5/h1-15H;/q+1;-1
InChI Key:
DSLULWHYPNUEAI-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.Brc1ccc(cc1)c1cc(cc([o+]1)c1ccc(cc1)Br)c1ccccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
553.95g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
553.984g/mol
Monoisotopic Mass:
551.952g/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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