| CAS Number | 1234616-15-9 |
| Catalog Number | AG000KMP(AGN-PC-0WAD5T) |
| Chemical Name | ethyl 4-chloro-6-azaindole-2-carboxylate |
| IUPAC Name | ethyl 4-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate |
| InChI | InChI=1S/C10H9ClN2O2/c1-2-15-10(14)8-3-6-7(11)4-12-5-9(6)13-8/h3-5,13H,2H2,1H3 |
| InChI Key | GKVIEEJBFFRMMG-UHFFFAOYSA-N |
| MDL Number | MFCD17214394 |
| Molecular Formula | C10H9ClN2O2 |
| Molecular Weight | 224.6437 |
| SMILES | CCOC(=O)c1cc2c(Cl)cncc2[nH]1 |
| Synonyms | 1234616-15-9,
ETHYL 4-CHLORO-6-AZAINDOLE-2-CARBOXYLATE,
ETHYL 4-CHLORO-1H-PYRROLO[2,3-C]PYRIDINE-2-CARBOXYLATE,
MFCD17214394,
ZINC206019534,
PB19589,
AS-51223,
CS-0049466,
FT-0749033,
Q-3245,
1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid, 4-chloro-, ethyl ester,
GKVIEEJBFFRMMG-UHFFFAOYSA-N,
na,
|
| 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 | 2.2 |
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Certificate of Analysis
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