CAS 943034-50-2

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(2-chloroethyl)-2,3-dihydro-1-benzofuran

2.1.2 InChI

InChI=1S/C10H11ClO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7H,3-6H2

2.1.3 InChI Key

UOWBUUHBGKOXGH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COC2=C1C=C(C=C2)CCCl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 943034-50-2

2. 5-(2-chloroethyl)-2,3-dihydro-1-benzofuran

3. Schembl4060161

4. Dtxsid90648091

5. Bcp11434

6. Cs-m1816

7. Zinc21982759

8. Akos006307086

9. Ac-26360

10. Cs-13490

11. Ft-0687198

12. 034c502

13. A852189

2.3 Create Date

2008-10-20

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁ClO
Molecular Weight	182.64 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	182.0498427 g/mol
Monoisotopic Mass	182.0498427 g/mol
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	149
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	1

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