CAS 846023-24-3

1 2D Structure

CAS 846023-24-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-cyano-N-(2,4-dichloro-5-methoxyphenyl)acetamide

2.1.2 InChI

InChI=1S/C10H8Cl2N2O2/c1-16-9-5-8(6(11)4-7(9)12)14-10(15)2-3-13/h4-5H,2H2,1H3,(H,14,15)

2.1.3 InChI Key

RPWHAQJEZWBZGX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C(C(=C1)NC(=O)CC#N)Cl)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 846023-24-3

2. Acetamide, 2-cyano-n-(2,4-dichloro-5-methoxyphenyl)-

3. Mfcd10565601

4. 2-cyano-n-(2,4-dichloro-5-methoxyphenyl) Acetamide

5. Ec 617-590-6

6. Schembl4961490

7. Dtxsid70582702

8. Amy18435

9. Bcp24247

10. Zinc35080423

11. Akos015890723

12. Ds-18356

13. Sy116645

14. Cs-0150520

15. C76695

16. 023c243

17. A864056

18. N-(2,4-dichloro-5-methoxyphenyl)-2-cyanoacetamide

19. Fura2magnesium-selectiveanalogtetrapotassiumsalt

2.3 Create Date

2007-06-18

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₈Cl₂N₂O₂
Molecular Weight	259.09 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	257.9962829 g/mol
Monoisotopic Mass	257.9962829 g/mol
Topological Polar Surface Area	62.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	302
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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