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

C₈H₅BrN₂O₂CAS 885523-43-3241.04 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

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

885523-43-3

SMILES

O=C(O)c1cc(Br)c2cn[nH]c2c1

InChIKey

PTPANGLJLZZYNH-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

1H-Indazole-6-carboxylic acid, 4-bromo-

Work with 4-Bromo-1H-indazole-6-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

1H-Indazole-6-carboxylic acid704-91-654 % similar 3,5-Dibromo-4-hydroxybenzoic acid3337-62-050 % similar 4-Bromo-6-chloro-1H-indazole885519-03-950 % similar 4-Bromo-6-fluoro-1H-indazole885520-35-450 % similar 4-Amino-3,5-dibromobenzoic acid4123-72-249 % similar 3,5-Dibromo-4-methylbenzoic acid67973-32-449 % similar 5-Bromo-6-chloropyridine-3-carboxylic acid29241-62-147 % similar 1H-Indazole-4-carboxylic acid677306-38-647 % 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-Bromo-1H-indazole-3-carboxylic acid660823-36-9 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

Elsewhere

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