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23565-63-1 | 2-Propyn-1-one, 1-(4-bromophenyl)-3-phenyl-
CAS No: 23565-63-1 Catalog No: AG002NOW MDL No:
Product Description
Catalog Number:
AG002NOW
Chemical Name:
2-Propyn-1-one, 1-(4-bromophenyl)-3-phenyl-
CAS Number:
23565-63-1
Molecular Formula:
C15H9BrO
Molecular Weight:
285.1354
IUPAC Name:
1-(4-bromophenyl)-3-phenylprop-2-yn-1-one
InChI:
InChI=1S/C15H9BrO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H
InChI Key:
PIMAGHUGARRUIS-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)C#Cc1ccccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.984g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.14g/mol
Monoisotopic Mass:
283.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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