3-(1H-1,2,4-Triazol-1-yl)benzoic acid
Properties
- Molecular formula
- C9H7N3O2
- Molar mass
- 189.17 g/mol
- Exact mass
- 189.0538 Da
- logP
- 0.97Crippen estimate
- Polar surface area
- 68.0 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
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
167626-64-4SMILES
C1=CC(=CC(=C1)N2C=NC=N2)C(=O)OInChIKey
SZKWCOCFEIVCAB-UHFFFAOYSA-NInChI
InChI=1S/C9H7N3O2/c13-9(14)7-2-1-3-8(4-7)12-6-10-5-11-12/h1-6H,(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-(1H-1,2,4-Triazol-1-yl)benzoic acid
Similar compounds
Fluconazole impurity C514222-44-760 % similar
3-(1H-Imidazol-1-yl)benzoic acid108035-47-858 % similar
Isophthalic acid121-91-551 % similar
3-Mercaptobenzoic acid4869-59-448 % similar
1-Phenyl-1H-pyrazole-4-carboxylic acid1134-50-545 % similar
3-Fluorobenzoic acid455-38-945 % similar
3-Chlorobenzoic acid535-80-845 % similar
3-Bromobenzoic acid585-76-245 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds