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52168-41-9 | 3-(4-Bromophenyl)propiophenone
CAS No: 52168-41-9 Catalog No: AG01EWCB MDL No:
Product Description
Catalog Number:
AG01EWCB
Chemical Name:
3-(4-Bromophenyl)propiophenone
CAS Number:
52168-41-9
Molecular Formula:
C15H13BrO
Molecular Weight:
289.1671
IUPAC Name:
3-(4-bromophenyl)-1-phenylpropan-1-one
InChI:
InChI=1S/C15H13BrO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2
InChI Key:
MHNUDVYKHUVNCC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CCC(=O)c1ccccc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.015g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.172g/mol
Monoisotopic Mass:
288.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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