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Also known as: 575452-22-1, 1-(1-ethoxyethyl)-4-iodopyrazole, 1-(1-ethoxy-ethyl)-4-iodo-1h-pyrazole, Mfcd22123601, 1h-pyrazole, 1-(1-ethoxyethyl)-4-iodo-, C7h11in2o
Molecular Formula
C7H11IN2O
Molecular Weight
266.08  g/mol
InChI Key
XPDWYXNGYUFNEG-UHFFFAOYSA-N

CAS 575452-22-1
1 2D Structure

CAS 575452-22-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(1-ethoxyethyl)-4-iodopyrazole
2.1.2 InChI
InChI=1S/C7H11IN2O/c1-3-11-6(2)10-5-7(8)4-9-10/h4-6H,3H2,1-2H3
2.1.3 InChI Key
XPDWYXNGYUFNEG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(C)N1C=C(C=N1)I
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 575452-22-1

2. 1-(1-ethoxyethyl)-4-iodopyrazole

3. 1-(1-ethoxy-ethyl)-4-iodo-1h-pyrazole

4. Mfcd22123601

5. 1h-pyrazole, 1-(1-ethoxyethyl)-4-iodo-

6. C7h11in2o

7. Schembl1343572

8. Dtxsid30405105

9. Amy34506

10. Aya45222

11. Cs-d0585

12. Stl583982

13. Akos015998572

14. Ds-7434

15. Sy030204

16. Db-102478

17. Bb 0258397

18. En300-232895

19. F14600

20. A869650

2.3 Create Date
2005-09-16
3 Chemical and Physical Properties
Molecular Weight 266.08 g/mol
Molecular Formula C7H11IN2O
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area27
Heavy Atom Count11
Formal Charge0
Complexity123
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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