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87630-54-4 | Pyrrolo[1,2-b]isoquinoline-3,10(2H,5H)-dione, 8-chloro-1,10a-dihydro-
CAS No: 87630-54-4 Catalog No: AG004P1Q MDL No:
Product Description
Catalog Number:
AG004P1Q
Chemical Name:
Pyrrolo[1,2-b]isoquinoline-3,10(2H,5H)-dione, 8-chloro-1,10a-dihydro-
CAS Number:
87630-54-4
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
IUPAC Name:
8-chloro-1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione
InChI:
InChI=1S/C12H10ClNO2/c13-8-2-1-7-6-14-10(3-4-11(14)15)12(16)9(7)5-8/h1-2,5,10H,3-4,6H2
InChI Key:
SVQMKFMWCOJTGH-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)C1N(C2)C(=O)CC1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.667g/mol
Monoisotopic Mass:
235.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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