CAS 17518-98-8

Chemistry, 1 End Use API

Chemistry
1 End Use API

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Also known as: 17518-98-8, 7-bromo-6-chloro-4-quinazolinone, 7-bromo-6-chloroquinazolin-4(3h)-one, 6-chloro-7-bromo-3h-quinazolin-4-one, 7-bromo-6-chloro-1h-quinazolin-4-one, 7-bromo-6-chloro-3,4-dihydroquinazolin-4-one

Molecular Formula

C₈H₄BrClN₂O

Molecular Weight

259.49 g/mol

InChI Key

RFCXXKWROOFQSI-UHFFFAOYSA-N

1 2D Structure

CAS 17518-98-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-bromo-6-chloro-3H-quinazolin-4-one

2.1.2 InChI

InChI=1S/C8H4BrClN2O/c9-5-2-7-4(1-6(5)10)8(13)12-3-11-7/h1-3H,(H,11,12,13)

2.1.3 InChI Key

RFCXXKWROOFQSI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C2C(=CC(=C1Cl)Br)N=CNC2=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 17518-98-8

2. 7-bromo-6-chloro-4-quinazolinone

3. 7-bromo-6-chloroquinazolin-4(3h)-one

4. 6-chloro-7-bromo-3h-quinazolin-4-one

5. 7-bromo-6-chloro-1h-quinazolin-4-one

6. 7-bromo-6-chloro-3,4-dihydroquinazolin-4-one

7. 7-bromo-6-chloro-3h-quinazolin-4-one

8. 4(1h)-quinazolinone, 7-bromo-6-chloro-

9. Mfcd10000555

10. 7-bromo-6-chloroquinazolin-4(1h)-one

11. Schembl10310503

12. Schembl16636945

13. Dtxsid80512631

14. 7-bromo-6-chloroquinazolin-4-ol

15. 7-bromo-6-chloro-quinazolin-4-ol

16. Bcp09707

17. Zinc22053089

18. Akos015915021

19. Akos015919910

20. Cs-w003722

21. Gs-4261

22. Pb22397

23. Ac-30311

24. Sy007960

25. Am20030164

26. C2539

27. Ft-0650512

28. 6-chloro-7-bromo-3,4-dihydro-4-quinazolinone

29. P17046

30. 518b988

31. Q-200802

2.3 Create Date

2019-01-16

3 Chemical and Physical Properties

Molecular Formula	C₈H₄BrClN₂O
Molecular Weight	259.49 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	257.91955 g/mol
Monoisotopic Mass	257.91955 g/mol
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	259
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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CAS Number

17518-98-8

Intermediate Name

Cebrazolone

About the Company

Keminntek Laboratories is a Hyderabad (India) based Contract Research Organization in Pharmaceutical sect...

Keminntek Laboratories is a Hyderabad (India) based Contract Research Organization in Pharmaceutical sector in specific Pharmaceutical Intermediates, Speciality Chemicals, Impurities and Active Pharmaceutical Ingredients. Our vision is to build Keminntek Laboratories into a world class leading pharmaceutical service provider based on innovation while keeping health & prosperity in mind. Imperatively, we will continue our business with high standards of ethics in the interest of society and environment. We are committed towards improving people’s health through science and innovation.

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