2-Chloro-5-nitrophenol

C₆H₄ClNO₃CAS 619-10-3173.55 g/mol

Open in Covalent MOL file

Aryl halide Nitro Phenol

Properties

Molecular formula: C₆H₄ClNO₃
Molar mass: 173.55 g/mol
Exact mass: 172.9880 Da
Melting point: 119.5 °C
logP: 1.95Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

619-10-3

SMILES

O=[N+]([O-])c1ccc(Cl)c(O)c1

InChIKey

BUMGQSCPTLELLS-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClNO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H

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Names and synonyms

3 names

Phenol, 2-chloro-5-nitro-
6-Chloro-3-nitrophenol
NSC 212119

Work with 2-Chloro-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

4-Nitrocatechol3316-09-468 % similar 1,2-Dichloro-4-nitrobenzene99-54-768 % similar 2-Chloro-5-nitroaniline6283-25-665 % similar 2,5-Dinitrophenol329-71-564 % similar 2,4-Dinitrochlorobenzene97-00-764 % similar 2-Amino-5-nitrophenol121-88-062 % similar 2-Chloro-5-nitrobenzenesulfonic acid96-73-161 % similar 2-Chloro-4-nitroaniline121-87-960 % similar

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

Same formula

2-Chloro-6-nitrophenol603-86-1 4-Chloro-3-nitrophenol610-78-6 Nitrofungin619-08-9 4-Chloro-2-nitrophenol89-64-5

Elsewhere

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