Benzotriazol-1-yl-acetic acid
Properties
- Molecular formula
- C8H7N3O2
- Molar mass
- 177.16 g/mol
- Exact mass
- 177.0538 Da
- logP
- 0.52Crippen estimate
- Polar surface area
- 68.0 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
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
4144-64-3SMILES
C1=CC=C2C(=C1)N=NN2CC(=O)OInChIKey
QOXXZTPKJWPIDK-UHFFFAOYSA-NInChI
InChI=1S/C8H7N3O2/c12-8(13)5-11-7-4-2-1-3-6(7)9-10-11/h1-4H,5H2,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1H-Benzotriazol-1-ylacetic acid
Work with Benzotriazol-1-yl-acetic acid
Similar compounds
1H-Benzotriazole-1-propanoic acid654-15-973 % similar
1H-Benzotriazole-1-methanol28539-02-856 % similar
Benzoimidazol-1-yl-acetic acid40332-16-955 % similar
(2-Trifluoromethyl-benzoimidazol-1-yl)-acetic acid313241-14-448 % similar
1H-Indole-1-acetic acid24297-59-446 % similar
3-Benzoimidazol-1-yl-propionic acid14840-18-745 % similar
N-(Carboxymethyl)acridone38609-97-145 % similar
Bis(hydroxybenzotriazolyl) carbonate88544-01-845 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds