CAS 27143-07-3

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Also known as: 27143-07-3, Ethyl chloro[(4-methoxyphenyl)hydrazono]acetate, Ethyl (2z)-2-chloro-2-[(4-methoxyphenyl)hydrazinylidene]acetate, Ethyl 2-chloro-2-(2-(4-methoxyphenyl)hydrazono)acetate, 473927-63-8, Ethyl chloro((4-methoxyphenyl)hydrazono)acetate

Molecular Formula

C₁₁H₁₃ClN₂O₃

Molecular Weight

256.68 g/mol

InChI Key

ATNPZEGMKLGIFA-UVTDQMKNSA-N

1 2D Structure

CAS 27143-07-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl (2Z)-2-chloro-2-[(4-methoxyphenyl)hydrazinylidene]acetate

2.1.2 InChI

InChI=1S/C11H13ClN2O3/c1-3-17-11(15)10(12)14-13-8-4-6-9(16-2)7-5-8/h4-7,13H,3H2,1-2H3/b14-10-

2.1.3 InChI Key

ATNPZEGMKLGIFA-UVTDQMKNSA-N

2.1.4 Canonical SMILES

CCOC(=O)C(=NNC1=CC=C(C=C1)OC)Cl

2.1.5 Isomeric SMILES

CCOC(=O)/C(=N/NC1=CC=C(C=C1)OC)/Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 27143-07-3

2. Ethyl Chloro[(4-methoxyphenyl)hydrazono]acetate

3. Ethyl (2z)-2-chloro-2-[(4-methoxyphenyl)hydrazinylidene]acetate

4. Ethyl 2-chloro-2-(2-(4-methoxyphenyl)hydrazono)acetate

5. 473927-63-8

6. Ethyl Chloro((4-methoxyphenyl)hydrazono)acetate

7. Chloro[(4-methoxyphenyl)hydrazono]acetic Acid Ethyl Ester

8. Mfcd02852962

9. Acetic Acid, 2-chloro-2-[2-(4-methoxyphenyl)hydrazinylidene], Ethyl Ester

10. Cs-m1832

11. Zinc97947787

12. Akos015951073

13. Ac-26372

14. As-19748

15. Am20090751

16. Ethyl [(4-methoxyphenyl)hydrazono]-chloroacetate

17. A846990

18. J-520020

19. J-520727

20. (z)-ethyl2-chloro-2-(2-(4-methoxyphenyl)hydrazono)acetate

21. Acetic Acid, 2-chloro-2-[2-(4-methoxyphenyl)hydrazinylidene]-, Ethyl Ester

22. Ethyl (z)-2-chloro-2-[2-(4-methoxyphenyl)hydrazin-1-ylidene]acetate

23. Acetic Acid, 2-chloro-2-[2-(4-methoxyphenyl)hydrazinylidene], Ethyl Ester;(z)-ethyl 2-chloro-2-(2-(4-methoxyphenyl)hydrazono)acetate

2.3 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₃ClN₂O₃
Molecular Weight	256.68 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	256.0614700 g/mol
Monoisotopic Mass	256.0614700 g/mol
Topological Polar Surface Area	59.9 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	276
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1