(±)-Indoxacarb

C₂₂H₁₇ClF₃N₃O₇CAS 144171-61-9527.84 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Carbamate Ester Ether Hydrazone Urea

Properties

Molecular formula: C₂₂H₁₇ClF₃N₃O₇
Molar mass: 527.84 g/mol
Exact mass: 527.0707 Da
Melting point: 140.5 °C
logP: 4.09Crippen estimate
Polar surface area: 107.0 Å²
H-bond donors / acceptors: 0 / 8
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed51.3% of notifiers
H317 May cause an allergic skin reaction51.3% of notifiers
H332 Harmful if inhaled100% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure51.3% of notifiers
H400 Very toxic to aquatic life51.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects51.3% of notifiers

Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P317, P319, P321, P330, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

144171-61-9

SMILES

COC(=O)N(C(=O)N1COC2(C(=O)OC)Cc3cc(Cl)ccc3C2=N1)c1ccc(OC(F)(F)F)cc1

InChIKey

VBCVPMMZEGZULK-UHFFFAOYSA-N

InChI

InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3

Weigh it out

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

Names and synonyms

6 names

Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester
DPX-MP 062
DPX-JW 062
Tornado 10FL
Tornado
Indoxacarb, (+-)-

Work with (±)-Indoxacarb

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

Methyl 4-(trifluoromethoxy)benzoate780-31-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook