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898781-97-0 | 3-(3-Bromophenyl)-3'-methylpropiophenone
CAS No: 898781-97-0 Catalog No: AG01EYWY MDL No:
Product Description
Catalog Number:
AG01EYWY
Chemical Name:
3-(3-Bromophenyl)-3'-methylpropiophenone
CAS Number:
898781-97-0
Molecular Formula:
C16H15BrO
Molecular Weight:
303.1937
IUPAC Name:
3-(3-bromophenyl)-1-(3-methylphenyl)propan-1-one
InChI:
InChI=1S/C16H15BrO/c1-12-4-2-6-14(10-12)16(18)9-8-13-5-3-7-15(17)11-13/h2-7,10-11H,8-9H2,1H3
InChI Key:
CMEPSPUPHSTMEA-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CCC(=O)c1cccc(c1)C
Properties
Complexity:
276
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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