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898761-58-5 | 3-(4-Bromophenyl)-3',5'-dimethylpropiophenone
CAS No: 898761-58-5 Catalog No: AG01EYV7 MDL No:
Product Description
Catalog Number:
AG01EYV7
Chemical Name:
3-(4-Bromophenyl)-3',5'-dimethylpropiophenone
CAS Number:
898761-58-5
Molecular Formula:
C17H17BrO
Molecular Weight:
317.2203
IUPAC Name:
3-(4-bromophenyl)-1-(3,5-dimethylphenyl)propan-1-one
InChI:
InChI=1S/C17H17BrO/c1-12-9-13(2)11-15(10-12)17(19)8-5-14-3-6-16(18)7-4-14/h3-4,6-7,9-11H,5,8H2,1-2H3
InChI Key:
NCDGUIULJQDWGB-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CCC(=O)c1cc(C)cc(c1)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.226g/mol
Monoisotopic Mass:
316.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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