| CAS Number | 885266-77-3 |
| Catalog Number | AG00H1PX(AGN-PC-0WCCNH) |
| Chemical Name | Tert-butyl 3-formyl-1H-indol-4-ylcarbamate |
| IUPAC Name | tert-butyl N-(3-formyl-1H-indol-4-yl)carbamate |
| InChI | InChI=1S/C14H16N2O3/c1-14(2,3)19-13(18)16-11-6-4-5-10-12(11)9(8-17)7-15-10/h4-8,15H,1-3H3,(H,16,18) |
| InChI Key | XKYBSNNENLRYPN-UHFFFAOYSA-N |
| MDL Number | MFCD04973990 |
| Molecular Formula | C14H16N2O3 |
| Molecular Weight | 260.2884 |
| SMILES | CC(OC(NC1=C2C(NC=C2C=O)=CC=C1)=O)(C)C |
| Synonyms | TERT-BUTYL 3-FORMYL-1H-INDOL-4-YLCARBAMATE,
885266-77-3,
MFCD04973990,
4-(Boc-aMino)indole-3-carboxaldehyde, 97%,
CTK7H8422,
ZINC2541465,
1818AF,
ZINC02541465,
tert-Butyl 3-formylindole-4-carbamate,
MB03425,
(3-FORMYL-1H-INDOL-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER,
C14H16N2O3,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.293g/mol |
| Monoisotopic Mass | 260.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number