1-Ethyl-1h-1,2,3-benzotriazole-5-carboxylic acid - CAS 691363-31-2
Catalog: |
BB065425 |
Product Name: |
1-Ethyl-1h-1,2,3-benzotriazole-5-carboxylic acid |
CAS: |
691363-31-2 |
Synonyms: |
1-ethyl-1H-1,2,3-benzotriazole-5-carboxylic acid; 1-Ethyl-1H-benzo[d][1,2,3]triazole-5-carboxylic acid; 1-ethylbenzotriazole-5-carboxylic Acid |
IUPAC Name: | 1-ethylbenzotriazole-5-carboxylic acid |
Description: | 1-Ethyl-1h-1,2,3-benzotriazole-5-carboxylic acid |
Molecular Weight: | 191.19 |
Molecular Formula: | C9H9N3O2 |
Canonical SMILES: | CCN1C2=C(C=C(C=C2)C(=O)O)N=N1 |
InChI: | InChI=1S/C9H9N3O2/c1-2-12-8-4-3-6(9(13)14)5-7(8)10-11-12/h3-5H,2H2,1H3,(H,13,14) |
InChI Key: | YFLSBGGTASGZIL-UHFFFAOYSA-N |
Solubility: | 9.9 ug/ml |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | 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, and P501 |
Signal Word: | Warning |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.069476538 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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