Methyl 1,2,3-benzotriazole-5-carboxylate
Properties
- Molecular formula
- C8H7N3O2
- Molar mass
- 177.16 g/mol
- Exact mass
- 177.0538 Da
- logP
- 0.74Crippen estimate
- Polar surface area
- 67.9 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
113053-50-2SMILES
COC(=O)C1=CC2=NNN=C2C=C1InChIKey
ZMMBQCILDZFYKX-UHFFFAOYSA-NInChI
InChI=1S/C8H7N3O2/c1-13-8(12)5-2-3-6-7(4-5)10-11-9-6/h2-4H,1H3,(H,9,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Methyl 1H-1,2,3-benzotriazole-5-carboxylate
Work with Methyl 1,2,3-benzotriazole-5-carboxylate
Similar compounds
Methyl 2,1,3-benzothiadiazole-5-carboxylate175204-21-462 % similar
Methyl 1H-1,3-benzodiazole-5-carboxylate26663-77-457 % similar
1H-Indazole-6-carboxylic acid,3-iodo-,methyl ester885518-82-157 % similar
2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-356 % similar
Dimethyl terephthalate120-61-655 % similar
Benzotriazole-5-carboxylic acid23814-12-254 % similar
Methyl quinoline-6-carboxylate38896-30-954 % similar
Methyl 1H-indazole-5-carboxylate473416-12-554 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.