| CAS Number | 183288-42-8 |
| Catalog Number | AG0027GI(AGN-PC-0WNH4O) |
| Chemical Name | Ethyl 5-aminobenzofuran-2-carboxylate hydrochloride |
| IUPAC Name | ethyl 5-amino-1-benzofuran-2-carboxylate;hydrochloride |
| InChI | InChI=1S/C11H11NO3.ClH/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10;/h3-6H,2,12H2,1H3;1H |
| InChI Key | XGGIUALENXNONX-UHFFFAOYSA-N |
| MDL Number | MFCD22574189 |
| Molecular Formula | C11H12ClNO3 |
| Molecular Weight | 241.6709 |
| SMILES | O=C(C1=CC2=CC(N)=CC=C2O1)OCC.[H]Cl |
| Synonyms | 183288-42-8,
ETHYL 5-AMINOBENZOFURAN-2-CARBOXYLATE HCL,
Ethyl 5-aminobenzofuran-2-carboxylate hydrochloride,
ethyl 5-amino-1-benzofuran-2-carboxylate hydrochloride,
C11H11NO3.ClH,
CS-M2450,
KS-000008BE,
3653AH,
CL4582,
MFCD22574189,
SB21640,
AS-45981,
Ethyl 5-amino-1-benzofuran-2-carboxylate HCl,
Ethyl 5-aMinobenzofuran-2-carboxylate (hydrochloride),
2-Benzofurancarboxylic acid, 5-amino-, ethyl ester, hydrochloride (1:1),
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.671g/mol |
| Monoisotopic Mass | 241.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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