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 Formula	C₁₁H₁₂ClNO₃
Molecular Weight	241.67 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	241.0505709 g/mol
Monoisotopic Mass	241.0505709 g/mol
Topological Polar Surface Area	65.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	244
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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