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125889-69-2 | 4H-Pyran, 4-(4-bromophenyl)-2,4,6-triphenyl-
CAS No: 125889-69-2 Catalog No: AG000OX6 MDL No:
Product Description
Catalog Number:
AG000OX6
Chemical Name:
4H-Pyran, 4-(4-bromophenyl)-2,4,6-triphenyl-
CAS Number:
125889-69-2
Molecular Formula:
C29H21BrO
Molecular Weight:
465.3804
IUPAC Name:
4-(4-bromophenyl)-2,4,6-triphenylpyran
InChI:
InChI=1S/C29H21BrO/c30-26-18-16-25(17-19-26)29(24-14-8-3-9-15-24)20-27(22-10-4-1-5-11-22)31-28(21-29)23-12-6-2-7-13-23/h1-21H
InChI Key:
CVYDVVXGSVDCHF-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C1(C=C(OC(=C1)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.078g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
465.39g/mol
Monoisotopic Mass:
464.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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