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1313366-29-8 | 3(2H)-Isoquinolinone, 1-(4-chlorophenyl)-1,4-dihydro-6-methoxy-7-(1-methylethoxy)-
CAS No: 1313366-29-8 Catalog No: AG000VY9 MDL No:
Product Description
Catalog Number:
AG000VY9
Chemical Name:
3(2H)-Isoquinolinone, 1-(4-chlorophenyl)-1,4-dihydro-6-methoxy-7-(1-methylethoxy)-
CAS Number:
1313366-29-8
Molecular Formula:
C19H20ClNO3
Molecular Weight:
345.8200
IUPAC Name:
1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-2,4-dihydro-1H-isoquinolin-3-one
InChI:
InChI=1S/C19H20ClNO3/c1-11(2)24-17-10-15-13(8-16(17)23-3)9-18(22)21-19(15)12-4-6-14(20)7-5-12/h4-8,10-11,19H,9H2,1-3H3,(H,21,22)
InChI Key:
DQUQYOGFVHTURI-UHFFFAOYSA-N
SMILES:
COc1cc2CC(=O)NC(c2cc1OC(C)C)c1ccc(cc1)Cl
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.113g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.823g/mol
Monoisotopic Mass:
345.113g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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