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898760-30-0 | 3-(3-Bromophenyl)-3',4'-dimethylpropiophenone
CAS No: 898760-30-0 Catalog No: AG01EYTS MDL No:
Product Description
Catalog Number:
AG01EYTS
Chemical Name:
3-(3-Bromophenyl)-3',4'-dimethylpropiophenone
CAS Number:
898760-30-0
Molecular Formula:
C17H17BrO
Molecular Weight:
317.2203
IUPAC Name:
3-(3-bromophenyl)-1-(3,4-dimethylphenyl)propan-1-one
InChI:
InChI=1S/C17H17BrO/c1-12-6-8-15(10-13(12)2)17(19)9-7-14-4-3-5-16(18)11-14/h3-6,8,10-11H,7,9H2,1-2H3
InChI Key:
SZYYQGYBOJCZOC-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CCC(=O)c1ccc(c(c1)C)C
Properties
Complexity:
302
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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