CAS 77668-42-9 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 77668-42-9, 2,3-dichlorobenzoylcyanide, (2,3-dichlorophenyl)oxoacetonitrile, 2,3-dichlorobenzoyl nitrile, 3k95nm9zhz, 2-(2,3-dichlorophenyl)-2-oxoacetonitrile
Molecular Formula
C8H3Cl2NO
Molecular Weight
200.02  g/mol
InChI Key
FIBBFBXFASKAON-UHFFFAOYSA-N
FDA UNII
3K95NM9ZHZ

CAS 77668-42-9
1 2D Structure

CAS 77668-42-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,3-dichlorobenzoyl cyanide
2.1.2 InChI
InChI=1S/C8H3Cl2NO/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3H
2.1.3 InChI Key
FIBBFBXFASKAON-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C(=C1)Cl)Cl)C(=O)C#N
2.2 Other Identifiers
2.2.1 UNII
3K95NM9ZHZ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 77668-42-9

2. 2,3-dichlorobenzoylcyanide

3. (2,3-dichlorophenyl)oxoacetonitrile

4. 2,3-dichlorobenzoyl Nitrile

5. 3k95nm9zhz

6. 2-(2,3-dichlorophenyl)-2-oxoacetonitrile

7. Einecs 278-747-9

8. Lamotrigine Impurity

9. Dichlorobenzoyl Cyanide

10. Unii-3k95nm9zhz

11. Ec 278-747-9

12. 2,3-dichloro-benzoyl Cyanide

13. Schembl3273583

14. Dtxsid80228306

15. Bcp15619

16. Mfcd00792559

17. Zinc59867791

18. Akos015849938

19. (2,3-dichlorophenyl)(oxo)acetonitrile

20. Ac-15881

21. As-14221

22. Db-013960

23. Cs-0157242

24. Ft-0609560

25. F11408

26. 668d429

27. A839158

28. W-104305

29. 2-[2,3-bis(chloranyl)phenyl]-2-oxidanylidene-ethanenitrile

30. 2-(2,3-dichlorophenyl)-2-oxoacetonitrile (2,3-dichlorobenzoylcyanide)

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 200.02 g/mol
Molecular Formula C8H3Cl2NO
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass198.9591691 g/mol
Monoisotopic Mass198.9591691 g/mol
Topological Polar Surface Area40.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty