CAS 1103738-29-9

1 2D Structure

CAS 1103738-29-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene

2.1.2 InChI

InChI=1S/C15H14ClIO/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(17)5-8-15(12)16/h3-8,10H,2,9H2,1H3

2.1.3 InChI Key

CZFRIPGHKLGMEU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)I)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1103738-29-9

2. 4-iodo-1-chloro-2-(4-ethoxybenzyl)benzene

3. 1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene

4. Mfcd18642361

5. Schembl1933786

6. Amy8642

7. Dtxsid30649082

8. Bcp09892

9. Cs-m2123

10. Zinc59085160

11. Akos016011332

12. Ds-6280

13. Ac-26922

14. Sy113135

15. Db-059991

16. Ft-0714177

17. A852277

18. Benzene,1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodo-

2.3 Create Date

2009-04-06

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₄ClIO
Molecular Weight	372.63 g/mol
XLogP3	5.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	371.97779 g/mol
Monoisotopic Mass	371.97779 g/mol
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	241
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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