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Also known as: 183288-42-8, Ethyl 5-aminobenzofuran-2-carboxylate hcl, Ethyl 5-amino-1-benzofuran-2-carboxylate hydrochloride, Ethyl 5-amino-1-benzofuran-2-carboxylate;hydrochloride, 2-benzofurancarboxylic acid, 5-amino-, ethyl ester, hydrochloride (1:1), Ethyl 5-amino-1-benzofuran-2-carboxylate hcl
Molecular Formula
C11H12ClNO3
Molecular Weight
241.67  g/mol
InChI Key
XGGIUALENXNONX-UHFFFAOYSA-N

CAS 183288-42-8
1 2D Structure

CAS 183288-42-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 5-amino-1-benzofuran-2-carboxylate;hydrochloride
2.1.2 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
2.1.3 InChI Key
XGGIUALENXNONX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 183288-42-8

2. Ethyl 5-aminobenzofuran-2-carboxylate Hcl

3. Ethyl 5-amino-1-benzofuran-2-carboxylate Hydrochloride

4. Ethyl 5-amino-1-benzofuran-2-carboxylate;hydrochloride

5. 2-benzofurancarboxylic Acid, 5-amino-, Ethyl Ester, Hydrochloride (1:1)

6. Ethyl 5-amino-1-benzofuran-2-carboxylate Hcl

7. Cs-m2450

8. Cl4582

9. Mfcd22574189

10. Sb21640

11. As-45981

12. Ethyl5-aminobenzofuran-2-carboxylatehydrochloride

13. Ethyl 5-aminobenzofuran-2-carboxylate (hydrochloride)

2.3 Create Date
2013-10-25
3 Chemical and Physical Properties
Molecular Weight 241.67 g/mol
Molecular Formula C11H12ClNO3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass241.0505709 g/mol
Monoisotopic Mass241.0505709 g/mol
Topological Polar Surface Area65.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity244
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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