| CAS Number | 1430751-10-2 |
| Catalog Number | AG01FPUI(AGN-PC-3H5P5I) |
| Chemical Name | 1-(2-bromobenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
| IUPAC Name | 1-[(2-bromophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
| InChI | InChI=1S/C16H20BBrN2O2/c1-15(2)16(3,4)22-17(21-15)13-9-19-20(11-13)10-12-7-5-6-8-14(12)18/h5-9,11H,10H2,1-4H3 |
| InChI Key | DSFLJQAALJOSCZ-UHFFFAOYSA-N |
| MDL Number | MFCD28718225 |
| Molecular Formula | C16H20BBrN2O2 |
| Molecular Weight | 363.0572 |
| SMILES | CC1(C)C(C)(C)OB(C2=CN(CC3=CC=CC=C3Br)N=C2)O1 |
| Synonyms | 1430751-10-2,
SCHEMBL14858305,
AS-73445,
DB-097750,
1-[(2-bromophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole,
|
| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 362.08012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.1g/mol |
| Monoisotopic Mass | 362.08012g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 36.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number