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1256811-82-1 | 5H-Pyrrolo[3,4-b]pyridin-5-one, 2-chloro-6,7-dihydro-
CAS No: 1256811-82-1 Catalog No: AG000OEI MDL No:
Product Description
Catalog Number:
AG000OEI
Chemical Name:
5H-Pyrrolo[3,4-b]pyridin-5-one, 2-chloro-6,7-dihydro-
CAS Number:
1256811-82-1
Molecular Formula:
C7H5ClN2O
Molecular Weight:
168.5804
IUPAC Name:
2-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
InChI:
InChI=1S/C7H5ClN2O/c8-6-2-1-4-5(10-6)3-9-7(4)11/h1-2H,3H2,(H,9,11)
InChI Key:
HEXPQVGOXFMHOA-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(n1)CNC2=O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.58g/mol
Monoisotopic Mass:
168.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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