| CAS Number | 1704096-40-1 |
| Catalog Number | AG00ARBD(AGN-PC-0WCTNA) |
| Chemical Name | (3-Fluoro-5-(piperazin-1-ylmethyl)phenyl)boronic acid hydrochloride |
| IUPAC Name | [3-fluoro-5-(piperazin-1-ylmethyl)phenyl]boronic acid;hydrochloride |
| InChI | InChI=1S/C11H16BFN2O2.ClH/c13-11-6-9(5-10(7-11)12(16)17)8-15-3-1-14-2-4-15;/h5-7,14,16-17H,1-4,8H2;1H |
| InChI Key | LFHGUQSEGRBAOS-UHFFFAOYSA-N |
| MDL Number | MFCD28805569 |
| Molecular Formula | C11H17BClFN2O2 |
| Molecular Weight | 274.5273 |
| SMILES | Cl.FC=1C=C(C=C(C1)CN1CCNCC1)B(O)O |
| Synonyms | (3-fluoro-5-(piperazin-1-ylmethyl)phenyl)boronic acid hydrochloride,
1704096-40-1,
AKOS025286939,
AM88258,
AS-55328,
CS-0060812,
(3-FLUORO-5-(PIPERAZIN-1-YLMETHYL)PHENYL)BORONIC ACID HCL,
{3-fluoro-5-[(piperazin-1-yl)methyl]phenyl}boronic acid hydrochloride,
[3-fluoro-5-(piperazin-1-ylmethyl)phenyl]boronic acid;hydrochloride,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.105564g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.53g/mol |
| Monoisotopic Mass | 274.105564g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number