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1190315-52-6 | 1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 5-chloro-2,3-dihydro-2-oxo-
CAS No: 1190315-52-6 Catalog No: AG000HNL MDL No:MFCD12962815
Product Description
Catalog Number:
AG000HNL
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 5-chloro-2,3-dihydro-2-oxo-
CAS Number:
1190315-52-6
Molecular Formula:
C8H4ClN3O
Molecular Weight:
193.5899
MDL Number:
MFCD12962815
IUPAC Name:
5-chloro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-4-carbonitrile
InChI:
InChI=1S/C8H4ClN3O/c9-6-3-11-8-4(5(6)2-10)1-7(13)12-8/h3H,1H2,(H,11,12,13)
InChI Key:
JYNMRZLTMLCFIF-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)cnc2c1CC(=O)N2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.59g/mol
Monoisotopic Mass:
193.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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