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1196151-72-0 | 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 4-chloro-, ethyl ester
CAS No: 1196151-72-0 Catalog No: AG000PAC MDL No:MFCD13189628
Product Description
Catalog Number:
AG000PAC
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 4-chloro-, ethyl ester
CAS Number:
1196151-72-0
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
MDL Number:
MFCD13189628
IUPAC Name:
ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
InChI:
InChI=1S/C10H9ClN2O2/c1-2-15-10(14)8-5-6-7(11)3-4-12-9(6)13-8/h3-5H,2H2,1H3,(H,12,13)
InChI Key:
VIQFVDJCEMGLQQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)nccc2Cl
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.644g/mol
Monoisotopic Mass:
224.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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