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139781-14-9 | 2(1H)-Quinolinone, 3-acetyl-6-bromo-4-phenyl-
CAS No: 139781-14-9 Catalog No: AG001BPO MDL No:MFCD00186623
Product Description
Catalog Number:
AG001BPO
Chemical Name:
2(1H)-Quinolinone, 3-acetyl-6-bromo-4-phenyl-
CAS Number:
139781-14-9
Molecular Formula:
C17H12BrNO2
Molecular Weight:
342.1867
MDL Number:
MFCD00186623
IUPAC Name:
3-acetyl-6-bromo-4-phenyl-1H-quinolin-2-one
InChI:
InChI=1S/C17H12BrNO2/c1-10(20)15-16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-17(15)21/h2-9H,1H3,(H,19,21)
InChI Key:
FXROTDSWXRSXMK-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)C(=O)C
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.005g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.192g/mol
Monoisotopic Mass:
341.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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