| CAS Number | 2092929-96-7 |
| Catalog Number | AG01FT62(AGN-PC-3H60AC) |
| Chemical Name | 3,5-Dichloro-pyrrolo[2,3-c]pyridine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 3,5-dichloropyrrolo[2,3-c]pyridine-1-carboxylate |
| InChI | InChI=1S/C12H12Cl2N2O2/c1-12(2,3)18-11(17)16-6-8(13)7-4-10(14)15-5-9(7)16/h4-6H,1-3H3 |
| InChI Key | HAPXTAZMGJBHRH-UHFFFAOYSA-N |
| MDL Number | MFCD30723674 |
| Molecular Formula | C12H12Cl2N2O2 |
| Molecular Weight | 287.1419 |
| SMILES | |
| Synonyms | 3,5-Dichloro-pyrrolo[2,3-c]pyridine-1-carboxylic acid tert-butyl ester,
2092929-96-7,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.027583g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.14g/mol |
| Monoisotopic Mass | 286.027583g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number