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101575-93-3 | Ethanone, 2-bromo-1-(2-phenyl-4-quinolinyl)-
CAS No: 101575-93-3 Catalog No: AG0004TL MDL No:
Product Description
Catalog Number:
AG0004TL
Chemical Name:
Ethanone, 2-bromo-1-(2-phenyl-4-quinolinyl)-
CAS Number:
101575-93-3
Molecular Formula:
C17H12BrNO
Molecular Weight:
326.1873
IUPAC Name:
2-bromo-1-(2-phenylquinolin-4-yl)ethanone
InChI:
InChI=1S/C17H12BrNO/c18-11-17(20)14-10-16(12-6-2-1-3-7-12)19-15-9-5-4-8-13(14)15/h1-10H,11H2
InChI Key:
WNRFEPTYQNPOSC-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cc(nc2c1cccc2)c1ccccc1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.01g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.193g/mol
Monoisotopic Mass:
325.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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