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898782-27-9 | 3-(3-Bromophenyl)-2'-thiomethylpropiophenone
CAS No: 898782-27-9 Catalog No: AG01EYX9 MDL No:
Product Description
Catalog Number:
AG01EYX9
Chemical Name:
3-(3-Bromophenyl)-2'-thiomethylpropiophenone
CAS Number:
898782-27-9
Molecular Formula:
C16H15BrOS
Molecular Weight:
335.2587
IUPAC Name:
3-(3-bromophenyl)-1-(2-methylsulfanylphenyl)propan-1-one
InChI:
InChI=1S/C16H15BrOS/c1-19-16-8-3-2-7-14(16)15(18)10-9-12-5-4-6-13(17)11-12/h2-8,11H,9-10H2,1H3
InChI Key:
WCLFIAUKIXMXEE-UHFFFAOYSA-N
SMILES:
CSc1ccccc1C(=O)CCc1cccc(c1)Br
Properties
Complexity:
295
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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