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861841-98-7 | 2(1H)-Quinolinone, 5-(chloroacetyl)-7-(phenylmethoxy)-
CAS No: 861841-98-7 Catalog No: AG004K6A MDL No:
Product Description
Catalog Number:
AG004K6A
Chemical Name:
2(1H)-Quinolinone, 5-(chloroacetyl)-7-(phenylmethoxy)-
CAS Number:
861841-98-7
Molecular Formula:
C18H14ClNO3
Molecular Weight:
327.7617
IUPAC Name:
5-(2-chloroacetyl)-7-phenylmethoxy-1H-quinolin-2-one
InChI:
InChI=1S/C18H14ClNO3/c19-10-17(21)15-8-13(23-11-12-4-2-1-3-5-12)9-16-14(15)6-7-18(22)20-16/h1-9H,10-11H2,(H,20,22)
InChI Key:
QLECKSBGGUBKFM-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1cc(OCc2ccccc2)cc2c1ccc(=O)[nH]2
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.066g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.764g/mol
Monoisotopic Mass:
327.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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