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100331-89-3 | 2(1H)-Quinolinone, 5-(2-bromoacetyl)-8-(phenylmethoxy)-
CAS No: 100331-89-3 Catalog No: AG0001N6 MDL No:MFCD09025318
Product Description
Catalog Number:
AG0001N6
Chemical Name:
2(1H)-Quinolinone, 5-(2-bromoacetyl)-8-(phenylmethoxy)-
CAS Number:
100331-89-3
Molecular Formula:
C18H14BrNO3
Molecular Weight:
372.2127
MDL Number:
MFCD09025318
IUPAC Name:
5-(2-bromoacetyl)-8-phenylmethoxy-1H-quinolin-2-one
InChI:
InChI=1S/C18H14BrNO3/c19-10-15(21)13-6-8-16(18-14(13)7-9-17(22)20-18)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,22)
InChI Key:
RVHSDLUBNZBRMH-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(c2c1ccc(=O)[nH]2)OCc1ccccc1
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.016g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.218g/mol
Monoisotopic Mass:
371.016g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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