2,4-Dichloro-5-nitrophenol

C₆H₃Cl₂NO₃CAS 39489-77-5207.99 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

39489-77-5

SMILES

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

InChIKey

OFAPWTOOMSVMIU-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Phenol, 2,4-dichloro-5-nitro-

Work with 2,4-Dichloro-5-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-Dichloro-4,6-dinitrobenzene3698-83-771 % similar 2-Amino-4-chloro-5-nitrophenol6358-07-271 % similar 2-Chloro-4-fluoro-5-nitrophenol84478-75-171 % similar 2,4,5-Trichloronitrobenzene89-69-069 % similar 4-Chloro-3-nitrophenol610-78-657 % similar Nitrofungin619-08-957 % similar 2-Chloro-5-nitrophenol619-10-357 % similar 4-Chloro-5-methyl-2-nitrophenol7147-89-957 % similar

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

Same formula

2,4-Dichloro-3-nitrophenol38902-87-3 4,5-Dichloro-2-nitrophenol39224-65-2 2,4-Dichloro-6-nitrophenol609-89-2 2,6-Dichloro-4-nitrophenol618-80-4

Elsewhere

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