5-Fluoro-1H-indazole-3-carboxylic acid
Properties
- Molecular formula
- C8H5FN2O2
- Molar mass
- 180.14 g/mol
- Exact mass
- 180.0335 Da
- Melting point
- 299 °C
- logP
- 1.40Crippen estimate
- Polar surface area
- 66.0 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 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
1077-96-9SMILES
O=C(O)c1n[nH]c2ccc(F)cc12InChIKey
XFHIMKNXBUKQNS-UHFFFAOYSA-NInChI
InChI=1S/C8H5FN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/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
2 names
- 1H-Indazole-3-carboxylic acid, 5-fluoro-
- 5-Fluoroindazole-3-carboxylic acid
Work with 5-Fluoro-1H-indazole-3-carboxylic acid
Similar compounds
5-Bromo-1H-indazole-3-carboxylic acid1077-94-767 % similar
5-Methyl-1H-indazole-3-carboxylic acid1201-24-765 % similar
5-Methoxy-1H-indazole-3-carboxylic acid90417-53-162 % similar
Indazole-3-carboxylic acid4498-67-361 % similar
5-Nitroindazole-3-carboxylic acid78155-76-758 % similar
5-Fluoro-1H-indole-3-carboxylic acid23077-43-255 % similar
6-Bromo-1H-indazole-3-carboxylic acid660823-36-953 % similar
1,4-Dihydro-6-fluoro-4-oxoquinoline-3-carboxylic acid343-10-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.