CAS 98556-31-1

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CHEMISTRY

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BUILDING BLOCK

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1 End Use APIs
21 Related Intermediates

Chemistry

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Also known as: 98556-31-1, 4-chloro-6-iodo-quinazoline, Quinazoline, 4-chloro-6-iodo-, Mfcd01862193, 6-iodo-4-chloroquinazoline, 4chloro-6-iodoquinazoline

Molecular Formula

C₈H₄ClIN₂

Molecular Weight

290.49 g/mol

InChI Key

BDAIUOPDSRAOKI-UHFFFAOYSA-N

1 2D Structure

CAS 98556-31-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-6-iodoquinazoline

2.1.2 InChI

InChI=1S/C8H4ClIN2/c9-8-6-3-5(10)1-2-7(6)11-4-12-8/h1-4H

2.1.3 InChI Key

BDAIUOPDSRAOKI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=C(C=C1I)C(=NC=N2)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 98556-31-1

2. 4-chloro-6-iodo-quinazoline

3. Quinazoline, 4-chloro-6-iodo-

4. Mfcd01862193

5. 6-iodo-4-chloroquinazoline

6. 4chloro-6-iodoquinazoline

7. 6-iodo4-chloroquinazoline

8. 4-chloro-6-iodo Quinazoline

9. Schembl140574

10. 4-chloro-6-iodo-quinazoline-

11. Dtxsid50457722

12. Bdaiuopdsraoki-uhfffaoysa-n

13. Bcp22644

14. Akos015851274

15. Ac-8507

16. Cs-w019529

17. Pb19952

18. As-11431

19. Sy020620

20. Am20090785

21. C2775

22. Ft-0656664

23. En300-80629

24. A19365

25. Ar-527/43405044

26. Q-101354

27. Z1222427648

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₄ClIN₂
Molecular Weight	290.49 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	25.8
Heavy Atom Count	12
Formal Charge	0
Complexity	167
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