| CAS Number | 370880-82-3 |
| Catalog Number | AG00CKAL(AGN-PC-03T1DT) |
| Chemical Name | N-Boc-6-azaindole |
| IUPAC Name | tert-butyl pyrrolo[2,3-c]pyridine-1-carboxylate |
| InChI | InChI=1S/C12H14N2O2/c1-12(2,3)16-11(15)14-7-5-9-4-6-13-8-10(9)14/h4-8H,1-3H3 |
| InChI Key | VDJQDKIUIIFWJD-UHFFFAOYSA-N |
| MDL Number | MFCD20277909 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.2518 |
| SMILES | CC(C)(C)OC(=O)N1C=CC2=CC=NC=C12 |
| Synonyms | tert-Butyl 1H-pyrrolo[2,3-c]pyridine-1-carboxylate,
370880-82-3,
n-boc-6-azaindole,
1-N-Boc-6-azaindole,
SCHEMBL653606,
CTK8C1815,
DTXSID80627299,
VDJQDKIUIIFWJD-UHFFFAOYSA-N,
4729AB,
ANW-67304,
MFCD20277909,
ZINC85224142,
AKOS016006628,
CB-3773,
TC-156049,
C12H14N2O2,
tert-Butyl1H-pyrrolo[2,3-c]pyridine-1-carboxylate,
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| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.256g/mol |
| Monoisotopic Mass | 218.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number