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898761-22-3 | 3-(4-Bromophenyl)-4'-thiomethylpropiophenone
CAS No: 898761-22-3 Catalog No: AG01EYUW MDL No:
Product Description
Catalog Number:
AG01EYUW
Chemical Name:
3-(4-Bromophenyl)-4'-thiomethylpropiophenone
CAS Number:
898761-22-3
Molecular Formula:
C16H15BrOS
Molecular Weight:
335.2587
IUPAC Name:
3-(4-bromophenyl)-1-(4-methylsulfanylphenyl)propan-1-one
InChI:
InChI=1S/C16H15BrOS/c1-19-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-3,5-10H,4,11H2,1H3
InChI Key:
HHPQJNTWOWDOGP-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C(=O)CCc1ccc(cc1)Br
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.003g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.259g/mol
Monoisotopic Mass:
334.003g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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