Benazolin-ethyl

C₁₁H₁₀ClNO₃SCAS 25059-80-7271.72 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₁H₁₀ClNO₃S
Molar mass: 271.72 g/mol
Exact mass: 271.0070 Da
Melting point: 79.2 °C
logP: 2.28Crippen estimate
Polar surface area: 48.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

25059-80-7

SMILES

CCOC(=O)Cn1c(=O)sc2cccc(Cl)c21

InChIKey

WQRCEBAZAUAUQC-UHFFFAOYSA-N

InChI

InChI=1S/C11H10ClNO3S/c1-2-16-9(14)6-13-10-7(12)4-3-5-8(10)17-11(13)15/h3-5H,2,6H2,1H3

Weigh it out

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

Names and synonyms

6 names

3(2H)-Benzothiazoleacetic acid, 4-chloro-2-oxo-, ethyl ester
3-Benzothiazolineacetic acid, 4-chloro-2-oxo-, ethyl ester
4-Chloro-2-oxobenzothiazolin-3-ylacetic acid ethyl ester
Benazolin ethyl ester
Galtak
Ethyl 2-(4-chloro-2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetate

Work with Benazolin-ethyl

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

Benazolin3813-05-661 % similar p-Chlorophenylacetic acid ethyl ester14062-24-942 % similar Ethyl 2-thienylacetate57382-97-540 % similar 2,4-D-Ethyl533-23-339 % similar Ethyl o-chlorobenzoate7335-25-339 % similar Ethyl phenylacetate101-97-339 % similar o-Tolylacetic acid ethyl ester40291-39-238 % similar Ethyl 3-methoxybenzeneacetate35553-92-538 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook