4-Chloro (1H)indazole

C7H5ClN2CAS 13096-96-3152.58 g/mol

Open in Covalent MOL file
NNHCl
Aryl halide

Properties

Molecular formula
C7H5ClN2
Molar mass
152.58 g/mol
Exact mass
152.0141 Da
logP
2.22Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, P501

Identifiers

CAS number
13096-96-3
SMILES
C1=CC2=C(C=NN2)C(=C1)Cl
InChIKey
CQTGQYVQJOJQCM-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)

Weigh it out

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

Names and synonyms

1 names
  • 4-Chloro-1H-indazole

Work with 4-Chloro (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

4-Bromo (1H)indazole186407-74-959 % similar 4-Fluoroindazole341-23-157 % similar 1H-Indazol-4-amine41748-71-457 % similar 1H-Indazol-4-ol81382-45-857 % similar 4-Methoxy-1H-indazole351210-06-552 % similar 1H-Indazole-4-carboxaldehyde669050-70-852 % similar 1H-Indazole-4-carbonitrile861340-10-552 % similar 4-Chloro-1H-pyrazolo[3,4-b]pyridine29274-28-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-pyridineacetonitrile101012-32-2 6-Chloro-1H-pyrrolo[3,2-b]pyridine1021339-19-4 5-Chloro-1H-pyrrolo[2,3-C]pyridine131084-55-4 6-Chloromethyl-2-cyanopyridine135450-23-6 4-Amino-2-chlorobenzonitrile20925-27-3 4-Amino-3-chlorobenzonitrile21803-75-8 2-Chloro-6-methyl-3-pyridinecarbonitrile28900-10-9 3-Chloroindazole29110-74-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook