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1190322-44-1 | 2H-Pyrrolo[2,3-b]pyridin-2-one, 4-chloro-1,3-dihydro-5-methoxy-
CAS No: 1190322-44-1 Catalog No: AG000I1X MDL No:
Product Description
Catalog Number:
AG000I1X
Chemical Name:
2H-Pyrrolo[2,3-b]pyridin-2-one, 4-chloro-1,3-dihydro-5-methoxy-
CAS Number:
1190322-44-1
Molecular Formula:
C8H7ClN2O2
Molecular Weight:
198.6064
IUPAC Name:
4-chloro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
InChI:
InChI=1S/C8H7ClN2O2/c1-13-5-3-10-8-4(7(5)9)2-6(12)11-8/h3H,2H2,1H3,(H,10,11,12)
InChI Key:
QPIMBUTVTZLEDU-UHFFFAOYSA-N
SMILES:
COc1cnc2c(c1Cl)CC(=O)N2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.606g/mol
Monoisotopic Mass:
198.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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