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898754-57-9 | 4'-Bromo-3-(2-thiomethylphenyl)propiophenone
CAS No: 898754-57-9 Catalog No: AG01EYT7 MDL No:
Product Description
Catalog Number:
AG01EYT7
Chemical Name:
4'-Bromo-3-(2-thiomethylphenyl)propiophenone
CAS Number:
898754-57-9
Molecular Formula:
C16H15BrOS
Molecular Weight:
335.2587
IUPAC Name:
1-(4-bromophenyl)-3-(2-methylsulfanylphenyl)propan-1-one
InChI:
InChI=1S/C16H15BrOS/c1-19-16-5-3-2-4-13(16)8-11-15(18)12-6-9-14(17)10-7-12/h2-7,9-10H,8,11H2,1H3
InChI Key:
DDCCFGOYAYPFBS-UHFFFAOYSA-N
SMILES:
CSc1ccccc1CCC(=O)c1ccc(cc1)Br
Properties
Complexity:
287
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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