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2D Structure
Also known as: 943034-50-2, 5-(2-chloroethyl)-2,3-dihydro-1-benzofuran, Schembl4060161, Dtxsid90648091, Bcp11434, Cs-m1816
Molecular Formula
C10H11ClO
Molecular Weight
182.64  g/mol
InChI Key
UOWBUUHBGKOXGH-UHFFFAOYSA-N

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 Weight 182.64 g/mol
Molecular Formula C10H11ClO
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass182.0498427 g/mol
Monoisotopic Mass182.0498427 g/mol
Topological Polar Surface Area9.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity149
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1