| CAS Number | 1093642-78-4 |
| Catalog Number | AG01B22Z |
| Chemical Name | 3-(aminomethyl)-1,3-dihydro-2,1-benzoxaborol-1-ol hydrochloride |
| IUPAC Name | (1-hydroxy-3H-2,1-benzoxaborol-3-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C8H10BNO2.ClH/c10-5-8-6-3-1-2-4-7(6)9(11)12-8;/h1-4,8,11H,5,10H2;1H |
| InChI Key | SDIIXJTURMFNPY-UHFFFAOYSA-N |
| MDL Number | MFCD29907297 |
| Molecular Formula | C8H11BClNO2 |
| Molecular Weight | 199.4424 |
| SMILES | Cl.NCC1C2=C(C=CC=C2)B(O)O1 |
| Synonyms | 3-(aminomethyl)-1,3-dihydro-2,1-benzoxaborol-1-ol hydrochloride,
1093642-78-4,
SCHEMBL3446642,
SDIIXJTURMFNPY-UHFFFAOYSA-N,
Z2469628196,
3-(aminomethyl)benzo[c][1,2]oxaborol-1(3h)-ol hydrochloride,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.441g/mol |
| Monoisotopic Mass | 199.057g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number