Benzotriazole-5-carboxylic acid

C₇H₅N₃O₂CAS 23814-12-2163.14 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₇H₅N₃O₂
Molar mass: 163.14 g/mol
Exact mass: 163.0382 Da
logP: 0.66Crippen estimate
Polar surface area: 78.9 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

23814-12-2

SMILES

C1=CC2=NNN=C2C=C1C(=O)O

InChIKey

GUOVBFFLXKJFEE-UHFFFAOYSA-N

InChI

InChI=1S/C7H5N3O2/c11-7(12)4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,11,12)(H,8,9,10)

Weigh it out

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

Names and synonyms

1 names

1H-Benzotriazole-5-carboxylic acid

Work with Benzotriazole-5-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

6-Quinoxalinecarboxylic acid6925-00-461 % similar 2,1,3-Benzothiadiazole-5-carboxylic acid16405-98-459 % similar 2,1,3-Benzoxadiazole-5-carboxylic acid19155-88-559 % similar 2,3-Dimethylquinoxaline-6-carboxylic acid17635-26-656 % similar Methyl 1,2,3-benzotriazole-5-carboxylate113053-50-254 % similar 1H-Benzimidazole-5-carboxylic acid15788-16-654 % similar 2,6-Naphthalenedicarboxylic acid1141-38-452 % similar Terephthalic acid100-21-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Nitro-1H-pyrrolo[2,3-B]pyridine101083-92-5 1H-Pyrazolo[3,4-B]pyridine-3-carboxylicacid(9ci)116855-08-4 Imidazo(1,2-b)pyridazine-2-carboxylic acid160911-42-2 2-Cyano-4-nitroaniline17420-30-3 3-Nitro-7-azaindole23709-47-9 6-Nitroimidazo[1,2-A]pyridine25045-82-3 Pyrazolo[1,5-A]pyrimidine-3-carboxylic acid25940-35-6 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-2

Elsewhere

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