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C14H5Cl6NO3CAS 76280-91-6447.90 g/mol

Open in Covalent MOL file
OHOClClClClOHNClCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C14H5Cl6NO3
Molar mass
447.90 g/mol
Exact mass
444.8401 Da
Melting point
198.5 °C
logP
6.94Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
76280-91-6
SMILES
O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(O)=Nc1cccc(Cl)c1Cl
InChIKey
ROZUQUDEWZIBHV-UHFFFAOYSA-N
InChI
InChI=1S/C14H5Cl6NO3/c15-4-2-1-3-5(8(4)16)21-13(22)6-7(14(23)24)10(18)12(20)11(19)9(6)17/h1-3H,(H,21,22)(H,23,24)

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Names and synonyms

5 names
  • Benzoic acid, 2,3,4,5-tetrachloro-6-[[(2,3-dichlorophenyl)amino]carbonyl]-
  • 2,3,4,5-Tetrachloro-6-[[(2,3-dichlorophenyl)amino]carbonyl]benzoic acid
  • Techlofthalam
  • Shirahagen S
  • 2,3,4,5-Tetrachloro-6-((2,3-dichlorophenyl)carbamoyl)benzoicacid

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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

Tetrachlorophthalic acid632-58-651 % similar 2,6-Dichlorobenzoic acid50-30-651 % similar 2,3,6-Trichlorobenzoic acid50-31-751 % similar 2,3-Dichlorobenzoic acid50-45-350 % similar 2-(Acetylamino)-6-chlorobenzoic acid19407-42-249 % similar 3,6-Dichloro-1,2,4-benzenetricarboxylic acid137071-78-448 % similar 2-Chloro-6-hydroxybenzoic acid56961-31-045 % similar Chlorthal2136-79-044 % similar

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

Elsewhere

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