| CAS Number | 1309982-59-9 |
| Catalog Number | AG009B8J(AGN-PC-0WA9NJ) |
| Chemical Name | 4-(Pyrrolidino)phenylboronic acid HCl |
| IUPAC Name | (4-pyrrolidin-1-ylphenyl)boronic acid;hydrochloride |
| InChI | InChI=1S/C10H14BNO2.ClH/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12;/h3-6,13-14H,1-2,7-8H2;1H |
| InChI Key | OWKIWLOZIOTTEF-UHFFFAOYSA-N |
| MDL Number | MFCD04112545 |
| Molecular Formula | C10H15BClNO2 |
| Molecular Weight | 227.4956 |
| SMILES | OB(c1ccc(cc1)N1CCCC1)O.Cl |
| Synonyms | (4-Pyrrolidin-1yl)phenyl boronic acid hydrochloride,
1309982-59-9,
4-(Pyrrolidino)phenylboronic acid HCl,
4-(Pyrrolidino)phenylboronic acid hydrochloride,
(4-(Pyrrolidin-1-yl)phenyl)boronic acid hydrochloride,
AK-45001,
CTK8B8823,
ANW-61388,
MFCD04112545,
AKOS015893680,
RTR-010719,
4-(1-Pyrrolidinyl)phenylboronic acid HCl,
OR361590,
AX8019512,
TR-010719,
4-(Pyrrolidino)phenylboronicacidhydrochloride,
ST24034749,
B-7081,
I04-6596,
4-(PYRROLIDIN-1-YL)PHENYLBORONIC ACID HYDROCHLORIDE,
229009-41-0,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.495g/mol |
| Monoisotopic Mass | 227.088g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.7A^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