2-Aminobenzoxazole-5-boronic Acid - CAS 1224844-65-8
Catalog: |
BB005405 |
Product Name: |
2-Aminobenzoxazole-5-boronic Acid |
CAS: |
1224844-65-8 |
Synonyms: |
(2-amino-1,3-benzoxazol-5-yl)boronic acid;hydrochloride; (2-amino-1,3-benzoxazol-5-yl)boronic acid;hydrochloride |
IUPAC Name: | (2-amino-1,3-benzoxazol-5-yl)boronic acid;hydrochloride |
Description: | 2-Aminobenzoxazole-5-boronic Acid (CAS# 1224844-65-8) is a useful research chemical. |
Molecular Weight: | 177.95 |
Molecular Formula: | C7H7N2O3B |
Canonical SMILES: | B(C1=CC2=C(C=C1)OC(=N2)N)(O)O.Cl |
InChI: | InChI=1S/C7H7BN2O3.ClH/c9-7-10-5-3-4(8(11)12)1-2-6(5)13-7;/h1-3,11-12H,(H2,9,10);1H |
InChI Key: | AQDKEUBWONTZJH-UHFFFAOYSA-N |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
LogP: | -0.17810 |
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 |
CN-108530436-B | Pyrazole compound and preparation method and application thereof | 20180517 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.0316500 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.0316500 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 92.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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