Tafamidis

C₁₄H₇Cl₂NO₃CAS 594839-88-0308.11 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₄H₇Cl₂NO₃
Molar mass: 308.11 g/mol
Exact mass: 306.9803 Da
logP: 4.50Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H315 Causes skin irritation42.9% of notifiers
H319 Causes serious eye irritation42.9% of notifiers
H335 May cause respiratory irritation42.9% of notifiers
H360 May damage fertility or the unborn child42.9% of notifiers
H362 May cause harm to breast-fed children14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

594839-88-0

SMILES

O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1

InChIKey

TXEIIPDJKFWEEC-UHFFFAOYSA-N

InChI

InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)

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

Names and synonyms

5 names

6-Benzoxazolecarboxylic acid, 2-(3,5-dichlorophenyl)-
2-(3,5-Dichlorophenyl)-6-benzoxazolecarboxylic acid
Fx 1006
Vyndamax
2-(3,5-Dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid

Work with Tafamidis

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

3,5-Dichlorobenzoic acid51-36-546 % similar 3′-Chloro[1,1′-biphenyl]-3-carboxylic acid168619-06-546 % similar 3'-Chloro-biphenyl-4-carboxylic acid5728-43-845 % similar 2,1,3-Benzoxadiazole-5-carboxylic acid19155-88-543 % similar 3-Chlorobenzoic acid535-80-843 % similar 4'-Chloro-biphenyl-4-carboxylic acid5748-41-443 % similar 4-Chlorobenzoic acid74-11-343 % similar 2-Methyl-6-quinolinecarboxylic acid635-80-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook