| CAS Number | 1135283-50-9 |
| Catalog Number | AG00IZQW(AGN-PC-0WB0LM) |
| Chemical Name | Tert-butyl (2-formylbenzofuran-5-yl)carbamate |
| IUPAC Name | tert-butyl N-(2-formyl-1-benzofuran-5-yl)carbamate |
| InChI | InChI=1S/C14H15NO4/c1-14(2,3)19-13(17)15-10-4-5-12-9(6-10)7-11(8-16)18-12/h4-8H,1-3H3,(H,15,17) |
| InChI Key | DYYIRQNEAOZSBO-UHFFFAOYSA-N |
| MDL Number | MFCD11841009 |
| Molecular Formula | C14H15NO4 |
| Molecular Weight | 261.2732 |
| SMILES | C(=O)C=1OC2=C(C1)C=C(C=C2)NC(OC(C)(C)C)=O |
| Synonyms | tert-Butyl N-(2-formyl-1-benzofuran-5-yl)carbamate,
1135283-50-9,
tert-Butyl (2-formylbenzofuran-5-yl)carbamate,
formylbenzofuranylcarbamate,
tert-Butyl-N-(2-formyl-1-benzofuran-5-yl)carbamate,
CTK7I0591,
KS-000027AG,
MFCD11841009,
SBB102419,
ZINC29753733,
AKOS005073138,
KC-0721,
RP14742,
AJ-83734,
EN000573,
tert-butyl 2-formyl-1-benzofuran-5-ylcarbamate,
(tert-butoxy)-N-(2-formylbenzo[b]furan-5-yl)carboxamide,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.277g/mol |
| Monoisotopic Mass | 261.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number