| CAS Number | 1335095-08-3 |
| Catalog Number | AG01B5GH |
| Chemical Name | 7-amino-3,4-dihydro-1H-2,1-benzoxaborinin-1-ol |
| IUPAC Name | 1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-amine |
| InChI | InChI=1S/C8H10BNO2/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-2,5,11H,3-4,10H2 |
| InChI Key | FAFYNSWNCDQADT-UHFFFAOYSA-N |
| MDL Number | MFCD24644607 |
| Molecular Formula | C8H10BNO2 |
| Molecular Weight | 162.9815 |
| SMILES | NC1=CC2=C(CCOB2O)C=C1 |
| Synonyms | 7-amino-3,4-dihydro-1H-2,1-benzoxaborinin-1-ol,
1335095-08-3,
SCHEMBL12317636,
FAFYNSWNCDQADT-UHFFFAOYSA-N,
ZINC204979070,
7-amino-3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.983g/mol |
| Monoisotopic Mass | 163.08g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number