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882854-42-4 | 4(1H)-Quinolinone, 7-bromo-2,3-dihydro-2-(4-methoxyphenyl)-
CAS No: 882854-42-4 Catalog No: AG0049TL MDL No:
Product Description
Catalog Number:
AG0049TL
Chemical Name:
4(1H)-Quinolinone, 7-bromo-2,3-dihydro-2-(4-methoxyphenyl)-
CAS Number:
882854-42-4
Molecular Formula:
C16H14BrNO2
Molecular Weight:
332.1919
IUPAC Name:
7-bromo-2-(4-methoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
InChI:
InChI=1S/C16H14BrNO2/c1-20-12-5-2-10(3-6-12)14-9-16(19)13-7-4-11(17)8-15(13)18-14/h2-8,14,18H,9H2,1H3
InChI Key:
RDOPFTYMEFUCGU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1CC(=O)c2c(N1)cc(cc2)Br
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.021g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.197g/mol
Monoisotopic Mass:
331.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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