| CAS Number | 1082847-63-9 |
| Catalog Number | AG019ELH(AGN-PC-0WQVQ3) |
| Chemical Name | Ethyl 4-Chloro-6-Methyl-1H-Pyrrolo[3,2-C]Pyridine-2-Carboxylate |
| IUPAC Name | ethyl 4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylate |
| InChI | InChI=1S/C11H11ClN2O2/c1-3-16-11(15)9-5-7-8(14-9)4-6(2)13-10(7)12/h4-5,14H,3H2,1-2H3 |
| InChI Key | LCSGMPHBDQEYAW-UHFFFAOYSA-N |
| MDL Number | MFCD11106848 |
| Molecular Formula | C11H11ClN2O2 |
| Molecular Weight | 238.6702 |
| SMILES | CCOC(=O)c1cc2c(Cl)nc(C)cc2[nH]1 |
| Synonyms | ethyl 4-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylate,
1082847-63-9,
MFCD11106848,
CS-0038122,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.671g/mol |
| Monoisotopic Mass | 238.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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