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898760-97-9 | 3-(4-Bromophenyl)-3'-methylpropiophenone
CAS No: 898760-97-9 Catalog No: AG01EYUL MDL No:
Product Description
Catalog Number:
AG01EYUL
Chemical Name:
3-(4-Bromophenyl)-3'-methylpropiophenone
CAS Number:
898760-97-9
Molecular Formula:
C16H15BrO
Molecular Weight:
303.1937
IUPAC Name:
3-(4-bromophenyl)-1-(3-methylphenyl)propan-1-one
InChI:
InChI=1S/C16H15BrO/c1-12-3-2-4-14(11-12)16(18)10-7-13-5-8-15(17)9-6-13/h2-6,8-9,11H,7,10H2,1H3
InChI Key:
LCAWQJJZSKXOJB-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CCC(=O)c1cccc(c1)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.199g/mol
Monoisotopic Mass:
302.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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