Aminocyclopyrachlor

C₈H₈ClN₃O₂CAS 858956-08-8213.62 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₈ClN₃O₂
Molar mass: 213.62 g/mol
Exact mass: 213.0305 Da
pKa: 4.65 (20 °C)
logP: 1.12Crippen estimate
Polar surface area: 89.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

H412 Harmful to aquatic life with long lasting effects100% of notifiers

Aggregated from 28 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number

858956-08-8

SMILES

N=c1[nH]c(C2CC2)nc(C(=O)O)c1Cl

InChIKey

KWAIHLIXESXTJL-UHFFFAOYSA-N

InChI

InChI=1S/C8H8ClN3O2/c9-4-5(8(13)14)11-7(3-1-2-3)12-6(4)10/h3H,1-2H2,(H,13,14)(H2,10,11,12)

Weigh it out

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

Names and synonyms

3 names

4-Pyrimidinecarboxylic acid, 6-amino-5-chloro-2-cyclopropyl-
6-Amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylic acid
DPX-MAT 28

Work with Aminocyclopyrachlor

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

Tetrachloropicolinic acid10469-09-742 % similar Picloram1918-02-138 % similar Aminopyralid150114-71-937 % similar Chlorthal2136-79-033 % similar 3-Amino-6-chloropyrazine-2-carboxylic acid2727-13-132 % similar Pentachlorobenzoic acid1012-84-632 % similar 1,2,3-Triazole-4,5-dicarboxylic acid4546-95-632 % similar Tetrachlorophthalic acid632-58-632 % similar

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

Elsewhere

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