6-Chloro-5-nitro-1H-indazole

C₇H₄ClN₃O₂CAS 101420-98-8197.58 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₄ClN₃O₂
Molar mass: 197.58 g/mol
Exact mass: 196.9992 Da
logP: 2.12Crippen estimate
Polar surface area: 71.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

101420-98-8

SMILES

O=[N+]([O-])c1cc2c[nH]nc2cc1Cl

InChIKey

SXVCMKGCWGVSSX-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClN3O2/c8-5-2-6-4(3-9-10-6)1-7(5)11(12)13/h1-3H,(H,9,10)

Weigh it out

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

Names and synonyms

1 names

1H-Indazole, 6-chloro-5-nitro-

Work with 6-Chloro-5-nitro-1H-indazole

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-dinitrobenzene3698-83-754 % similar 6-Nitroindazole7597-18-454 % similar 2,4,5-Trichloronitrobenzene89-69-053 % similar 4-Nitro-1H-indazole2942-40-750 % similar 7-Nitroindazole2942-42-950 % similar 7-Chloro-6-nitro-4(3H)-quinazolinone53449-14-247 % similar 2,5-Dichloro-4-nitrobenzenamine6627-34-546 % similar 1,2,3,4-Tetrachloro-5-nitrobenzene879-39-045 % similar

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

Same formula

4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-6-carboxylic acid1016241-80-7 6-Chloroimidazo[1,2-B]pyridazine-2-carboxylic acid14714-24-0 2-Amino-3-chloro-5-nitrobenzonitrile20352-84-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook