| CAS Number | 1018950-15-6 |
| Catalog Number | AG0091A0(AGN-PC-0WQY22) |
| Chemical Name | 1H-pyrrolo[3,2-b]pyridine-1-carboxylic acid 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl pyrrolo[3,2-b]pyridine-1-carboxylate |
| InChI | InChI=1S/C12H14N2O2/c1-12(2,3)16-11(15)14-8-6-9-10(14)5-4-7-13-9/h4-8H,1-3H3 |
| InChI Key | AEOODQOVWXMMNU-UHFFFAOYSA-N |
| MDL Number | MFCD24387134 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.2518 |
| SMILES | CC(C)(OC(N1C=CC2=C1C=CC=N2)=O)C |
| Synonyms | tert-butyl 1H-pyrrolo[3,2-b]pyridine-1-carboxylate,
1018950-15-6,
SCHEMBL759396,
AEOODQOVWXMMNU-UHFFFAOYSA-N,
MFCD24387134,
AKOS027337927,
ZINC114529371,
CS-W000448,
AS-48424,
DA-16304,
FT-0745121,
tert-butyl pyrrolo[3,2-b]pyridine-1-carboxylate,
1H-pyrrolo[3,2-b]pyridine-1-carboxylic acid 1,1-dimethylethyl ester,
|
| 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 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number