2,4-Dichloro-3-nitrophenol

C₆H₃Cl₂NO₃CAS 38902-87-3207.99 g/mol

Open in Covalent MOL file

Aryl halide Nitro Phenol

Properties

Molecular formula: C₆H₃Cl₂NO₃
Molar mass: 207.99 g/mol
Exact mass: 206.9490 Da
logP: 2.61Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

38902-87-3

SMILES

C1=CC(=C(C(=C1O)Cl)[N+](=O)[O-])Cl

InChIKey

GLNRZGZHZYONRE-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl2NO3/c7-3-1-2-4(10)5(8)6(3)9(11)12/h1-2,10H

Weigh it out

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Work with 2,4-Dichloro-3-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

1,3,5-Trichloro-2,4-dinitrobenzene6284-83-958 % similar 1,3-Dichloro-2-nitrobenzene601-88-756 % similar 2-Nitroresorcinol601-89-855 % similar Nitrofungin619-08-954 % similar 2-Chloro-5-nitrophenol619-10-354 % similar 1,2,4,5-Tetrachloro-3-nitrobenzene117-18-053 % similar 2,3,4-Trichlorophenol15950-66-050 % similar 2,3,4-Trichloronitrobenzene17700-09-350 % similar

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

Same formula

4,5-Dichloro-2-nitrophenol39224-65-2 2,4-Dichloro-5-nitrophenol39489-77-5 2,4-Dichloro-6-nitrophenol609-89-2 2,6-Dichloro-4-nitrophenol618-80-4

Elsewhere

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