6-Bromo-1H-indazole-3-carboxylic acid

C₈H₅BrN₂O₂CAS 660823-36-9241.04 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₅BrN₂O₂
Molar mass: 241.04 g/mol
Exact mass: 239.9534 Da
logP: 2.02Crippen estimate
Polar surface area: 66.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

660823-36-9

SMILES

C1=CC2=C(C=C1Br)NN=C2C(=O)O

InChIKey

QDQJIDDXPACPKY-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrN2O2/c9-4-1-2-5-6(3-4)10-11-7(5)8(12)13/h1-3H,(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

1 names

6-Bromo indazole-3-carboxylic acid

Work with 6-Bromo-1H-indazole-3-carboxylic 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

Indazole-3-carboxylic acid4498-67-361 % similar 6-Methoxy-1H-indazole-3-carboxylic acid518990-36-860 % similar 5-Fluoro-1H-indazole-3-carboxylic acid1077-96-953 % similar 5-Methyl-1H-indazole-3-carboxylic acid1201-24-753 % similar 5-Methoxy-1H-indazole-3-carboxylic acid90417-53-151 % similar 6-Bromo-1H-indazol-3-amine404827-77-650 % similar Methyl 5-bromo-1H-indazole-3-carboxylate78155-74-550 % similar 6-Bromo-3-iodo-1H-indazole885521-88-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-1H-indazole-3-carboxylic acid1077-94-7 4-Benzyl-10,19-diethyl-4,10,19-triaza-1,7,13,16-tetraoxacycloheneicosane397864-11-8 6-Bromoimidazo(1,2-a)pyridine-2-carboxylic acid749849-14-7 5-Bromo-1H-pyrrolo[2,3-B]pyridine-3-carboxylic acid849068-61-7 6-Bromoh-pyrazolo[1,5-A]pyridine-2-carboxylic acid876379-74-7 6-Bromo-2,4(1H,3H)-quinazolinedione88145-89-5 4-Bromo-1H-indazole-3-carboxylic acid885521-80-2 4-Bromo-1H-indazole-6-carboxylic acid885523-43-3

Elsewhere

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