| CAS Number | 1404480-15-4 |
| Catalog Number | AG01EHCE(AGN-PC-0WCMUE) |
| Chemical Name | Boronic acid, B-(2-amino-5-benzoxazolyl)-, hydrochloride (1:1) |
| IUPAC Name | (2-amino-1,3-benzoxazol-5-yl)boronic acid;hydrochloride |
| 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 |
| MDL Number | MFCD26405707 |
| Molecular Formula | C7H8BClN2O3 |
| Molecular Weight | 214.4140 |
| SMILES | Cl.NC=1OC2=C(N1)C=C(C=C2)B(O)O |
| Synonyms | 1224844-65-8,
(2-Aminobenzo[d]oxazol-5-yl)boronic acid hydrochloride,
1404480-15-4,
(2-Aminobenzo[d]oxazol-5-yl)-boronic acid hydrochloride,
2-aminobenzo[d]oxazol-5-ylboronic acid hydrochloride,
(2-AMino-1,3-benzoxazol-5-yl)boronic acid hydrochloride,
DTXSID50744649,
AKOS016845337,
2-Aminobenzo[d]oxazole-5-boronic acid,
RL01021,
AX8252571,
4CH-005605,
J-508022,
(2-Amino-1,3-benzoxazol-5-yl)boronic acid--hydrogen chloride (1/1),
AQDKEUBWONTZJH-UHFFFAOYSA-N,
2-aminobenzo[d]oxazol-5-ylboronic acid,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.412g/mol |
| Monoisotopic Mass | 214.032g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 92.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number