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20884-94-0 | 7,8-Dihydro-5-[4-(isopropylsulfonyl)phenyl]-1,3-dioxolo[4,5-g]isoquinoline
CAS No: 20884-94-0 Catalog No: AG00BQQG MDL No:
Product Description
Catalog Number:
AG00BQQG
Chemical Name:
7,8-Dihydro-5-[4-(isopropylsulfonyl)phenyl]-1,3-dioxolo[4,5-g]isoquinoline
CAS Number:
20884-94-0
IUPAC Name:
5-(4-propan-2-ylsulfonylphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
InChI:
InChI=1S/C19H19NO4S/c1-12(2)25(21,22)15-5-3-13(4-6-15)19-16-10-18-17(23-11-24-18)9-14(16)7-8-20-19/h3-6,9-10,12H,7-8,11H2,1-2H3
InChI Key:
RBEMBKHIHHDIPM-UHFFFAOYSA-N
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.103g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.424g/mol
Monoisotopic Mass:
357.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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