| CAS Number | 1092352-63-0 |
| Catalog Number | AG00IWUS(AGN-PC-0WB02T) |
| Chemical Name | tert-Butyl (2-(hydroxymethyl)benzofuran-5-yl)carbamate |
| IUPAC Name | tert-butyl N-[2-(hydroxymethyl)-1-benzofuran-5-yl]carbamate |
| InChI | InChI=1S/C14H17NO4/c1-14(2,3)19-13(17)15-10-4-5-12-9(6-10)7-11(8-16)18-12/h4-7,16H,8H2,1-3H3,(H,15,17) |
| InChI Key | RHNYRFCBBWKEPV-UHFFFAOYSA-N |
| MDL Number | MFCD11553049 |
| Molecular Formula | C14H17NO4 |
| Molecular Weight | 263.2891 |
| SMILES | O=C(NC1=CC2=C(OC(CO)=C2)C=C1)OC(C)(C)C |
| Synonyms | tert-butyl N-[2-(hydroxymethyl)-1-benzofuran-5-yl]carbamate,
1092352-63-0,
tert-Butyl (2-(hydroxymethyl)benzofuran-5-yl)carbamate,
hydroxymethylbenzofuranylcarbamate,
CTK8A3488,
MFCD11553049,
SBB102656,
ZINC22995895,
AKOS005073066,
HC-0743,
RP14829,
KS-000026K1,
AJ-81600,
(tert-butoxy)-N-[2-(hydroxymethyl)benzo[b]furan-5-yl]carboxamide,
tert-butyl n-[2-(hydroxymethyl)-1-benzo[b]furan-5-yl]carbamate,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.293g/mol |
| Monoisotopic Mass | 263.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number