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353271-48-4 | QUINOLIN DERIVATIVE
CAS No: 353271-48-4 Catalog No: AG00CB05 MDL No:
Product Description
Catalog Number:
AG00CB05
Chemical Name:
QUINOLIN DERIVATIVE
CAS Number:
353271-48-4
IUPAC Name:
1-(4-chlorobenzoyl)-2-(3,4-dimethoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
InChI:
InChI=1S/C29H22ClN3O3/c1-35-23-13-9-20(15-24(23)36-2)26-27(28(34)19-7-11-21(30)12-8-19)33-22-6-4-3-5-18(22)10-14-25(33)29(26,16-31)17-32/h3-15,25-27H,1-2H3
InChI Key:
UABNNDYJUIQZQZ-UHFFFAOYSA-N
Properties
Complexity:
941
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
495.135g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
495.963g/mol
Monoisotopic Mass:
495.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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