| CAS Number | 1256355-17-5 |
| Catalog Number | AG000O3R(AGN-PC-0WA3ES) |
| Chemical Name | 1-(1-Borono-1-phenylmethyl)pyrazole-4-boronic acid |
| IUPAC Name | [1-[borono(phenyl)methyl]pyrazol-4-yl]boronic acid |
| InChI | InChI=1S/C10H12B2N2O4/c15-11(16)9-6-13-14(7-9)10(12(17)18)8-4-2-1-3-5-8/h1-7,10,15-18H |
| InChI Key | ABNQSLSZKRNDNJ-UHFFFAOYSA-N |
| MDL Number | MFCD18087687 |
| Molecular Formula | C10H12B2N2O4 |
| Molecular Weight | 245.8353 |
| SMILES | OB(C(n1ncc(c1)B(O)O)c1ccccc1)O |
| Synonyms | 1-(1-Borono-1-phenylmethyl)pyrazole-4-boronic acid,
1256355-17-5,
ACMC-209ayc,
CTK4B4591,
DTXSID50681727,
C10H12B2N2O4,
ANW-18466,
MFCD18087687,
AKOS015833727,
OR360763,
TR-035249,
Z8923,
A-3906,
I04-1725,
{1-[Borono(phenyl)methyl]-1H-pyrazol-4-yl}boronic acid,
Boronic acid, B-[1-(boronophenylmethyl)-1H-pyrazol-4-yl]-,
1-(1-Borono-1-phenylmethyl)-1H-pyrazole-4-boronic acid,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.836g/mol |
| Monoisotopic Mass | 246.098g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 98.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number