2,1,3-benzoxadiazole-4-carboxylic acid - CAS 32863-21-1
Catalog: |
BB021444 |
Product Name: |
2,1,3-benzoxadiazole-4-carboxylic acid |
CAS: |
32863-21-1 |
Synonyms: |
2,1,3-benzoxadiazole-4-carboxylic acid; 2,1,3-benzoxadiazole-4-carboxylic acid |
IUPAC Name: | 2,1,3-benzoxadiazole-4-carboxylic acid |
Description: | 2,1,3-Benzoxadiazole-4-carboxylic Acid can be used as orexin receptor antagonists to treat various diseases. |
Molecular Weight: | 164.12 |
Molecular Formula: | C7H4N2O3 |
Canonical SMILES: | C1=CC2=NON=C2C(=C1)C(=O)O |
InChI: | InChI=1S/C7H4N2O3/c10-7(11)4-2-1-3-5-6(4)9-12-8-5/h1-3H,(H,10,11) |
InChI Key: | NGPYWZBQSYAKKK-UHFFFAOYSA-N |
LogP: | 0.92100 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-WO2018088510-A1 | Method for analyzing a sample containing protein | 20161111 |
WO-2018088510-A1 | Method for analyzing protein-containing sample | 20161111 |
JP-6741259-B2 | Method for analyzing sample containing protein | 20161111 |
EP-3436021-A1 | Compositions and methods for treating attention deficit disorders | 20160329 |
US-2019112300-A1 | Compositions And Methods For Treating Attention Deficit Disorders | 20160329 |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.02219199 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.02219199 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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