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1669-51-8 | 1-Propanone, 1-(4-bromophenyl)-3-phenyl-
CAS No: 1669-51-8 Catalog No: AG001X00 MDL No:
Product Description
Catalog Number:
AG001X00
Chemical Name:
1-Propanone, 1-(4-bromophenyl)-3-phenyl-
CAS Number:
1669-51-8
Molecular Formula:
C15H13BrO
Molecular Weight:
289.1671
IUPAC Name:
1-(4-bromophenyl)-3-phenylpropan-1-one
InChI:
InChI=1S/C15H13BrO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
InChI Key:
AKQSTOHWSLTIIU-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)CCc1ccccc1
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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