| CAS Number | 1629535-19-8 |
| Catalog Number | AG00ARXW(AGN-PC-0WRA04) |
| Chemical Name | tert-Butyl N-(1-benzofuran-2-yl)carbamate |
| IUPAC Name | tert-butyl N-(1-benzofuran-2-yl)carbamate |
| InChI | InChI=1S/C13H15NO3/c1-13(2,3)17-12(15)14-11-8-9-6-4-5-7-10(9)16-11/h4-8H,1-3H3,(H,14,15) |
| InChI Key | AKWKOAIDKNPCSS-UHFFFAOYSA-N |
| MDL Number | MFCD28962775 |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.2631 |
| SMILES | O=C(OC(C)(C)C)NC1=CC2=CC=CC=C2O1 |
| Synonyms | tert-Butyl benzofuran-2-ylcarbamate,
1629535-19-8,
SCHEMBL8605861,
ZINC204647839,
FCH3592871,
AX8326676,
tert-butyl N-(1-benzofuran-2-yl)carbamate,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.267g/mol |
| Monoisotopic Mass | 233.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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