5-Chloro-2-hydroxy-3-nitrobenzoic acid

C₇H₄ClNO₅CAS 7195-78-0217.56 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Nitro Phenol

Properties

Molecular formula: C₇H₄ClNO₅
Molar mass: 217.56 g/mol
Exact mass: 216.9778 Da
logP: 1.65Crippen estimate
Polar surface area: 100.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

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

7195-78-0

SMILES

C1=C(C=C(C(=C1C(=O)O)O)[N+](=O)[O-])Cl

InChIKey

SIYGNKVPVGTIHB-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClNO5/c8-3-1-4(7(11)12)6(10)5(2-3)9(13)14/h1-2,10H,(H,11,12)

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Names and synonyms

1 names

Benzoic acid,5-chloro-2-hydroxy-3-nitro-

Work with 5-Chloro-2-hydroxy-3-nitrobenzoic acid

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

2,5-Dichloro-3-nitrobenzoic acid88-86-873 % similar 3,5-Dinitrosalicylic acid609-99-470 % similar 2-Hydroxy-5-chloro-3-nitroacetophenone84942-40-569 % similar 5-Chloro-2-nitrobenzoic acid2516-95-266 % similar 4-Chloro-2-nitrobenzoic acid6280-88-266 % similar 3-Nitrosalicylic acid85-38-163 % similar 5,5'-Dichloro-3,3'-dinitro(1,1'-biphenyl)-2,2'-diol10331-57-462 % similar 2,4-Dichloro-6-nitrophenol609-89-260 % similar

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

Elsewhere

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