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89482-04-2 | 1(2H)-Isoquinolinone, 6-(3-chloropropoxy)-3,4-dihydro-
CAS No: 89482-04-2 Catalog No: AG0041ME MDL No:
Product Description
Catalog Number:
AG0041ME
Chemical Name:
1(2H)-Isoquinolinone, 6-(3-chloropropoxy)-3,4-dihydro-
CAS Number:
89482-04-2
Molecular Formula:
C12H14ClNO2
Molecular Weight:
239.6981
IUPAC Name:
6-(3-chloropropoxy)-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C12H14ClNO2/c13-5-1-7-16-10-2-3-11-9(8-10)4-6-14-12(11)15/h2-3,8H,1,4-7H2,(H,14,15)
InChI Key:
YQKTVSXBQDSRTM-UHFFFAOYSA-N
SMILES:
ClCCCOc1ccc2c(c1)CCNC2=O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.699g/mol
Monoisotopic Mass:
239.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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