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898781-99-2 | 3-(3-Bromophenyl)-4'-methylpropiophenone
CAS No: 898781-99-2 Catalog No: AG01EYWZ MDL No:
Product Description
Catalog Number:
AG01EYWZ
Chemical Name:
3-(3-Bromophenyl)-4'-methylpropiophenone
CAS Number:
898781-99-2
Molecular Formula:
C16H15BrO
Molecular Weight:
303.1937
IUPAC Name:
3-(3-bromophenyl)-1-(4-methylphenyl)propan-1-one
InChI:
InChI=1S/C16H15BrO/c1-12-5-8-14(9-6-12)16(18)10-7-13-3-2-4-15(17)11-13/h2-6,8-9,11H,7,10H2,1H3
InChI Key:
MBAUIRRFEJYLSM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)CCc1cccc(c1)Br
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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