chempirical

Tafamidis

C14H7Cl2NO3CAS 594839-88-0308.11 g/mol

Open in Covalent MOL file
OHONClClO
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

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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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 2,1,3-Benzoxadiazole-5-carboxylic acid19155-88-543 % similar 3-Chlorobenzoic acid535-80-843 % similar 4-Chlorobenzoic acid74-11-343 % similar 5-(3-Chlorophenyl)-2-furancarboxylic acid41019-44-741 % similar 6-Quinolinecarboxylic acid10349-57-241 % similar 2,6-Naphthalenedicarboxylic acid1141-38-440 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook