7-Bromo-1H-1,2,3-benzotriazole-5-carboxylic acid - CAS 1354771-68-8
Catalog: |
BB072336 |
Product Name: |
7-Bromo-1H-1,2,3-benzotriazole-5-carboxylic acid |
CAS: |
1354771-68-8 |
Synonyms: |
7-Bromo-1H-1,2,3-benzotriazole-5-carboxylic acid; 7-bromo-2H-benzotriazole-5-carboxylic acid; 7-Bromo-1H-benzo[d][1,2,3]triazole-5-carboxylic acid; 7-Bromo-1H-1,2,3-benzotriazole-5-carboxylicacid |
IUPAC Name: | 7-bromo-2H-benzotriazole-5-carboxylic acid |
Description: | 7-Bromo-1H-1,2,3-benzotriazole-5-carboxylic acid |
Molecular Weight: | 242.03 |
Molecular Formula: | C7H4BrN3O2 |
Canonical SMILES: | C1=C(C=C(C2=NNN=C21)Br)C(=O)O |
InChI: | InChI=1S/C7H4BrN3O2/c8-4-1-3(7(12)13)2-5-6(4)10-11-9-5/h1-2H,(H,12,13)(H,9,10,11) |
InChI Key: | YPEXABMLBITRHQ-UHFFFAOYSA-N |
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: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.94869 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.94869 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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