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1190312-76-5 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 6-chloro-2,3-dihydro-2-oxo-, Methyl ester
CAS No: 1190312-76-5 Catalog No: AG000HJE MDL No:MFCD12962744
Product Description
Catalog Number:
AG000HJE
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 6-chloro-2,3-dihydro-2-oxo-, Methyl ester
CAS Number:
1190312-76-5
Molecular Formula:
C9H7ClN2O3
Molecular Weight:
226.6165
MDL Number:
MFCD12962744
IUPAC Name:
methyl 6-chloro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-4-carboxylate
InChI:
InChI=1S/C9H7ClN2O3/c1-15-9(14)5-2-6(10)11-8-4(5)3-7(13)12-8/h2H,3H2,1H3,(H,11,12,13)
InChI Key:
OZOIXOGLWBMUMV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)nc2c1CC(=O)N2
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.616g/mol
Monoisotopic Mass:
226.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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