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898761-52-9 | 3-(4-Bromophenyl)-2',6'-dimethylpropiophenone
CAS No: 898761-52-9 Catalog No: AG01EYV5 MDL No:
Product Description
Catalog Number:
AG01EYV5
Chemical Name:
3-(4-Bromophenyl)-2',6'-dimethylpropiophenone
CAS Number:
898761-52-9
Molecular Formula:
C17H17BrO
Molecular Weight:
317.2203
IUPAC Name:
3-(4-bromophenyl)-1-(2,6-dimethylphenyl)propan-1-one
InChI:
InChI=1S/C17H17BrO/c1-12-4-3-5-13(2)17(12)16(19)11-8-14-6-9-15(18)10-7-14/h3-7,9-10H,8,11H2,1-2H3
InChI Key:
SSNGFXWZOZWNLG-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CCC(=O)c1c(C)cccc1C
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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