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866892-97-9 | 1-Propanone, 3-(5-bromo-1H-indol-3-yl)-1,3-diphenyl-
CAS No: 866892-97-9 Catalog No: AG004TCM MDL No:
Product Description
Catalog Number:
AG004TCM
Chemical Name:
1-Propanone, 3-(5-bromo-1H-indol-3-yl)-1,3-diphenyl-
CAS Number:
866892-97-9
Molecular Formula:
C23H18BrNO
Molecular Weight:
404.2991
IUPAC Name:
3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one
InChI:
InChI=1S/C23H18BrNO/c24-18-11-12-22-20(13-18)21(15-25-22)19(16-7-3-1-4-8-16)14-23(26)17-9-5-2-6-10-17/h1-13,15,19,25H,14H2
InChI Key:
WQJHYKDSYYYAGX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(c[nH]2)C(c1ccccc1)CC(=O)c1ccccc1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.057g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.307g/mol
Monoisotopic Mass:
403.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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