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102468-79-1 | 1-Propanone, 1-(4-bromophenyl)-3-phenyl-3-(phenylthio)-
CAS No: 102468-79-1 Catalog No: AG0007JI MDL No:
Product Description
Catalog Number:
AG0007JI
Chemical Name:
1-Propanone, 1-(4-bromophenyl)-3-phenyl-3-(phenylthio)-
CAS Number:
102468-79-1
Molecular Formula:
C21H17BrOS
Molecular Weight:
397.3281
IUPAC Name:
1-(4-bromophenyl)-3-phenyl-3-phenylsulfanylpropan-1-one
InChI:
InChI=1S/C21H17BrOS/c22-18-13-11-16(12-14-18)20(23)15-21(17-7-3-1-4-8-17)24-19-9-5-2-6-10-19/h1-14,21H,15H2
InChI Key:
KCTFSDICMCLBJE-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)CC(c1ccccc1)Sc1ccccc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.018g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.33g/mol
Monoisotopic Mass:
396.018g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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