Ethychlozate

C₁₁H₁₁ClN₂O₂CAS 27512-72-7238.67 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₁H₁₁ClN₂O₂
Molar mass: 238.67 g/mol
Exact mass: 238.0509 Da
Melting point: 77 °C
logP: 2.32Crippen estimate
Polar surface area: 55.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage97.5% of notifiers
H332 Harmful if inhaled97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

27512-72-7

SMILES

CCOC(=O)Cc1n[nH]c2ccc(Cl)cc12

InChIKey

GLPZEHFBLBYFHN-UHFFFAOYSA-N

InChI

InChI=1S/C11H11ClN2O2/c1-2-16-11(15)6-10-8-5-7(12)3-4-9(8)13-14-10/h3-5H,2,6H2,1H3,(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

1H-Indazole-3-acetic acid, 5-chloro-, ethyl ester
J 455
IZAA
Etychlozate
Figaron
Ethyl 5-chloro-1H-indazole-3-acetate
Figarin

Work with Ethychlozate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

p-Chlorophenylacetic acid ethyl ester14062-24-952 % similar 3-(3-Chloro-phenyl)-3-oxo-propionic acid ethyl ester33167-21-446 % similar 3-(4-Chloro-phenyl)-3-oxo-propionic acid ethyl ester2881-63-246 % similar 2,4-D-Ethyl533-23-345 % similar Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-044 % similar Ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate21139-32-244 % similar 6-Chloroindole-2-carboxylic acid ethyl ester27034-51-142 % similar Ethyl 3-indazolecarboxylate4498-68-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-Chloro-L-tryptophan33468-35-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook