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1190315-19-5 | 1H-Pyrrolo[2,3-b]pyridine-2,6-dione, 5-chloro-3,7-dihydro-
CAS No: 1190315-19-5 Catalog No: AG000HO3 MDL No:
Product Description
Catalog Number:
AG000HO3
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2,6-dione, 5-chloro-3,7-dihydro-
CAS Number:
1190315-19-5
Molecular Formula:
C7H5ClN2O2
Molecular Weight:
184.5798
IUPAC Name:
5-chloro-3,7-dihydro-1H-pyrrolo[2,3-b]pyridine-2,6-dione
InChI:
InChI=1S/C7H5ClN2O2/c8-4-1-3-2-5(11)9-6(3)10-7(4)12/h1H,2H2,(H2,9,10,11,12)
InChI Key:
XHLBAFCLRNNIDK-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1)[nH]c(=O)c(c2)Cl
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.579g/mol
Monoisotopic Mass:
184.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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