| CAS Number | 2246901-18-6 |
| Catalog Number | AG00RNLM(AGN-PC-3H4G2P) |
| Chemical Name | 1-[(2,4-dichlorophenyl)methyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
| IUPAC Name | 1-[(2,4-dichlorophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
| InChI | InChI=1S/C16H19BCl2N2O2/c1-15(2)16(3,4)23-17(22-15)12-8-20-21(10-12)9-11-5-6-13(18)7-14(11)19/h5-8,10H,9H2,1-4H3 |
| InChI Key | MYKRTJURUNAXAX-UHFFFAOYSA-N |
| MDL Number | MFCD21337493 |
| Molecular Formula | C16H19BCl2N2O2 |
| Molecular Weight | 353.0513 |
| SMILES | CC1(C)C(C)(C)OB(C2=CN(CC3=CC=C(Cl)C=C3Cl)N=C2)O1 |
| Synonyms | A1-02602,
ZINC169996560,
AS-73872,
1-(2,4-Dichloro-benzyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole,
1-[(2,4-dichlorophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole,
2246901-18-6,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.091663g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.1g/mol |
| Monoisotopic Mass | 352.091663g/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