4,5-Dichloro-2-nitrophenol

C₆H₃Cl₂NO₃CAS 39224-65-2207.99 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

39224-65-2

SMILES

C1=C(C(=CC(=C1Cl)Cl)O)[N+](=O)[O-]

InChIKey

CEFFUJIHZMPDID-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4,5-Dichloro-2-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

4-Chloro-5-methyl-2-nitrophenol7147-89-973 % similar 4,6-Dinitroresorcinol616-74-068 % similar 2,4,5-Trichloronitrobenzene89-69-066 % similar 4-Chloro-2-nitrophenol89-64-559 % similar 2-Amino-4-chloro-5-nitrophenol6358-07-258 % similar 2-Chloro-4-fluoro-5-nitrophenol84478-75-158 % similar 1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-858 % similar 3,4-Difluoro-6-nitrophenol55346-97-958 % similar

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

Same formula

2,4-Dichloro-3-nitrophenol38902-87-3 2,4-Dichloro-5-nitrophenol39489-77-5 2,4-Dichloro-6-nitrophenol609-89-2 2,6-Dichloro-4-nitrophenol618-80-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook