Close
4
Pipeline-Prospector-Insert
X

Overview

Client Email Product
CAS 14401-75-3
PharmaCompass
  • Chemistry
CAS 14401-75-3
Also known as: 3',5'-dinitroacetophenone, 14401-75-3, 3,5-dinitroacetophenone, 1-(3,5-dinitrophenyl)ethan-1-one, Ethanone,1-(3,5-dinitrophenyl)-, 1-acetyl-3,5-dinitrobenzene
Molecular Formula
C8H6N2O5
Molecular Weight
210.145  g/mol
InChI Key
WGJQPJOLPLYFJH-UHFFFAOYSA-N

1 2D Structure

CAS 14401-75-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(3,5-dinitrophenyl)ethanone
2.1.2 InChI
InChI=1S/C8H6N2O5/c1-5(11)6-2-7(9(12)13)4-8(3-6)10(14)15/h2-4H,1H3
2.1.3 InChI Key
WGJQPJOLPLYFJH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 3',5'-dinitroacetophenone

2. 14401-75-3

3. 3,5-dinitroacetophenone

4. 1-(3,5-dinitrophenyl)ethan-1-one

5. Ethanone,1-(3,5-dinitrophenyl)-

6. 1-acetyl-3,5-dinitrobenzene

7. Nsc87635

8. Pubchem7492

9. Ac1q5ahp

10. 3',5'-dinitroaectophenone

11. Nciopen2_005176

12. Ac1l5z84

13. Schembl3291219

14. Ctk4c3899

15. Dtxsid80293175

16. 3\\',5\\'-dinitroacetophenone

17. Molport-001-760-351

18. Wgjqpjolplyfjh-uhfffaoysa-n

19. 3',5'-dinitroacetophenone, 97%

20. Albb-024847

21. Zinc1562202

22. Cd-043

23. Ethanone, 1-(3,5-dinitrophenyl)-

24. Mfcd00631987

25. Nsc-87635

26. Sbb072144

27. Akos003239997

28. Akos015916237

29. Ab06607

30. As05183

31. Mcule-2061427798

32. Vz25859

33. Ak327191

34. Cj-24580

35. Ft-0637076

36. R3574

37. St45027536

38. St50437034

39. X6950

40. J-007897

41. I14-49666

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 210.145 g/mol
Molecular Formula C8H6N2O5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass210.028 g/mol
Monoisotopic Mass210.028 g/mol
Topological Polar Surface Area109 A^2
Heavy Atom Count15
Formal Charge0
Complexity270
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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

Advertise With Us

Advertise With Us