chempirical

2,4-Dichloro-3-ethyl-6-nitrophenol

C8H7Cl2NO3CAS 99817-36-4236.05 g/mol

Open in Covalent MOL file
ClN+OO−OHCl
Aryl halideNitroPhenol

Properties

Molecular formula
C8H7Cl2NO3
Molar mass
236.05 g/mol
Exact mass
234.9803 Da
Melting point
44–47 °C
logP
3.17Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
99817-36-4
SMILES
CCc1c(Cl)cc([N+](=O)[O-])c(O)c1Cl
InChIKey
YTVCECQSAPGJBB-UHFFFAOYSA-N
InChI
InChI=1S/C8H7Cl2NO3/c1-2-4-5(9)3-6(11(13)14)8(12)7(4)10/h3,12H,2H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • Phenol, 2,4-dichloro-3-ethyl-6-nitro-
  • 2-Nitro-4,6-dichloro-5-ethylphenol
  • 5-Ethyl-4,6-dichloro-2-nitrophenol

Work with 2,4-Dichloro-3-ethyl-6-nitrophenol

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

2-Chloro-4,6-dinitrophenol946-31-652 % similar 2,4-Dichloro-6-nitrophenol609-89-251 % similar 6-Amino-2,4-dichloro-3-ethylphenol hydrochloride101819-99-250 % similar 2-Chloro-6-nitrophenol603-86-150 % similar 1,2,3,4-Tetrachloro-5-nitrobenzene879-39-049 % similar 2-Chloro-6-methyl-3-nitrophenol39183-20-546 % similar 4-Chloro-5-methyl-2-nitrophenol7147-89-946 % similar 5,5′-Dichloro-3,3′-dinitro[1,1′-biphenyl]-2,2′-diol10331-57-445 % similar

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

Elsewhere

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