| CAS Number | 1072945-74-4 |
| Catalog Number | AG003K09(AGN-PC-0WA94B) |
| Chemical Name | 4-(2-Morpholinoethoxy)phenylboronic acid, HCl |
| IUPAC Name | [4-(2-morpholin-4-ylethoxy)phenyl]boronic acid;hydrochloride |
| InChI | InChI=1S/C12H18BNO4.ClH/c15-13(16)11-1-3-12(4-2-11)18-10-7-14-5-8-17-9-6-14;/h1-4,15-16H,5-10H2;1H |
| InChI Key | PZQMRZHYQZRFQT-UHFFFAOYSA-N |
| MDL Number | MFCD10699615 |
| Molecular Formula | C12H19BClNO4 |
| Molecular Weight | 287.5476 |
| SMILES | OB(c1ccc(cc1)OCCN1CCOCC1)O.Cl |
| Synonyms | 4-(2-Morpholinoethoxy)phenylboronic acid, HCl,
1072945-74-4,
4-(2-Morpholinoethoxy)phenylboronic acid hydrochloride,
C12H19BClNO4,
CTK8B3981,
DTXSID90674496,
ANW-43592,
AKOS025293838,
RTR-001524,
OR361499,
TR-001524,
Z1975,
K-0564,
4-(2-Morpholinoethoxy)phenylboronic acid,hydrochloride,
{4-[2-(Morpholin-4-yl)ethoxy]phenyl}boronic acid--hydrogen chloride (1/1),
ACN-044266,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.547g/mol |
| Monoisotopic Mass | 287.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 62.2A^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