CAS 330792-69-3

Chemistry, 1 End Use API, 39 Related Intermediates

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Also known as: 330792-69-3, Propanedinitrile, 2-[methoxy(4-phenoxyphenyl)methylene]-, Propanedinitrile, [methoxy(4-phenoxyphenyl)methylene]-, Mfcd20140315, 2-[methoxy-(4-phenoxyphenyl)methylidene]propanedinitrile, 2-[methoxy(4-phenoxyphenyl)methylene]malononitrile

Molecular Formula

C₁₇H₁₂N₂O₂

Molecular Weight

276.29 g/mol

InChI Key

IRVRZQLHMPWLLY-UHFFFAOYSA-N

1 2D Structure

CAS 330792-69-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[methoxy-(4-phenoxyphenyl)methylidene]propanedinitrile

2.1.2 InChI

InChI=1S/C17H12N2O2/c1-20-17(14(11-18)12-19)13-7-9-16(10-8-13)21-15-5-3-2-4-6-15/h2-10H,1H3

2.1.3 InChI Key

IRVRZQLHMPWLLY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=C(C#N)C#N)C1=CC=C(C=C1)OC2=CC=CC=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 330792-69-3

2. Propanedinitrile, 2-[methoxy(4-phenoxyphenyl)methylene]-

3. Propanedinitrile, [methoxy(4-phenoxyphenyl)methylene]-

4. Mfcd20140315

5. 2-[methoxy-(4-phenoxyphenyl)methylidene]propanedinitrile

6. 2-[methoxy(4-phenoxyphenyl)methylene]malononitrile

7. Schembl200799

8. Amy8950

9. Dtxsid901220892

10. Bcp15256

11. Cs-m2595

12. Zb1493

13. Ac-29710

14. Ds-19435

15. Sy116157

16. Dicyano-2-methoxy-2-(4-phenoxyphenyl)ethene

17. H10906

18. 1,1-dicyano-2-methoxy-2(4-phenoxyphenyl)ethene

19. 1,1-dicyano-2-methoxy-2-(4-phenoxyphenyl)ethene

20. 2-[(4-phenoxy-phenyl)-methoxy-methylene]malononitrile

21. 2-[(methoxy)(4-phenoxyphenyl)methylene]malononitrile

22. Propanedinitrile, 2-methoxy(4-henoxyphenyl)ethylene]-

23. 2-[(4-phenoxy-phenyl)-methoxy-methylene]-malononitrile

24. Propanedinitrile,2-[methoxy(4-phenoxyphenyl)methylene]-

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₂N₂O₂
Molecular Weight	276.29 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	66
Heavy Atom Count	21
Formal Charge	0
Complexity	448
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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[Methoxy(4phenoxyphenyl)methylidene]propanedinitrile

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CAS Number

330792-69-3

End Use API

Ibrutinib

About the Company

VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers wit...

VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers with the highest quality SFC and HPLC purification and isolation solutions that market has to offer. With our 25 years of HPLC experience, we are able to provide variety of products with custom tailored answers for even most difficult separations. Our team of professional Chromatographers is available to assist in HPLC and SFC methods development solutions. Here at VIDGAS we are constantly innovating and pursuing the limits of HPLC and SFC.

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