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898761-46-1 | 3-(4-Bromophenyl)-2',4'-dimethylpropiophenone
CAS No: 898761-46-1 Catalog No: AG01EYV3 MDL No:
Product Description
Catalog Number:
AG01EYV3
Chemical Name:
3-(4-Bromophenyl)-2',4'-dimethylpropiophenone
CAS Number:
898761-46-1
Molecular Formula:
C17H17BrO
Molecular Weight:
317.2203
IUPAC Name:
3-(4-bromophenyl)-1-(2,4-dimethylphenyl)propan-1-one
InChI:
InChI=1S/C17H17BrO/c1-12-3-9-16(13(2)11-12)17(19)10-6-14-4-7-15(18)8-5-14/h3-5,7-9,11H,6,10H2,1-2H3
InChI Key:
JDXVYABRLIAEQV-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CCC(=O)c1ccc(cc1C)C
Properties
Complexity:
294
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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