1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C10H11ClN2O3/c1-15-8-5-3-7(4-6-8)12-13-9(11)10(14)16-2/h3-6,12H,1-2H3/b13-9-

2.1.3 InChI Key

IPYYPYTUZHFTKC-LCYFTJDESA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)NN=C(C(=O)OC)Cl

2.1.5 Isomeric SMILES

COC1=CC=C(C=C1)N/N=C(/C(=O)OC)\Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 70736-27-5

2. Methyl (z)-2-chloro-2-(2-(4-methoxyphenyl)hydrazono)acetate

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

4. Methyl Chloro[(4-methoxyphenyl)hydrazono]acetate

5. Acetic Acid, Chloro[(4-methoxyphenyl)hydrazono]-, Methyl Ester

6. Schembl17773469

7. Schembl18660293

8. Albb-032221

9. Cs-m3608

10. Mfcd02852963

11. Akos037629352

12. As-71462

13. Methyl(z)-2-chloro-2-(2-(4-methoxyphenyl)hydrazono)acetate

14. Methyl (2z)-2-chloro-2-[2-(4-methoxyphenyl)hydrazin-1-ylidene]acetate

2.3 Create Date

2006-10-24

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁ClN₂O₃
Molecular Weight	242.66 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	242.0458199 g/mol
Monoisotopic Mass	242.0458199 g/mol
Topological Polar Surface Area	59.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	263
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

CAS 70736-27-5