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88577-89-3 | Ethanone, 2-bromo-1-(4-chlorophenyl)-2-(phenylthio)-
CAS No: 88577-89-3 Catalog No: AG004BDR MDL No:
Product Description
Catalog Number:
AG004BDR
Chemical Name:
Ethanone, 2-bromo-1-(4-chlorophenyl)-2-(phenylthio)-
CAS Number:
88577-89-3
Molecular Formula:
C14H10BrClOS
Molecular Weight:
341.6506
IUPAC Name:
2-bromo-1-(4-chlorophenyl)-2-phenylsulfanylethanone
InChI:
InChI=1S/C14H10BrClOS/c15-14(18-12-4-2-1-3-5-12)13(17)10-6-8-11(16)9-7-10/h1-9,14H
InChI Key:
PBCJUCBGGPRMGY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)C(Sc1ccccc1)Br
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.932g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.647g/mol
Monoisotopic Mass:
339.932g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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