| CAS Number | 1619991-78-4 |
| Catalog Number | AG001SL3(AGN-PC-0WNH48) |
| Chemical Name | 1H-Pyrazole, 3-ethyl-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- |
| IUPAC Name | 3-ethyl-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
| InChI | InChI=1S/C12H21BN2O2/c1-7-10-9(8-15(6)14-10)13-16-11(2,3)12(4,5)17-13/h8H,7H2,1-6H3 |
| InChI Key | YLKPOHNZXRNSDB-UHFFFAOYSA-N |
| MDL Number | MFCD23740616 |
| Molecular Formula | C12H21BN2O2 |
| Molecular Weight | 236.1183 |
| SMILES | CC1(C)OB(C2=CN(C)N=C2CC)OC1(C)C |
| Synonyms | 1619991-78-4,
3-ethyl-1-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole,
3-Ethyl-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole,
SCHEMBL15885885,
MFCD23740616,
AKOS018217851,
ZINC211223101,
SB21909,
KS-0000088P,
AS-53961,
CS-0051382,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.122g/mol |
| Monoisotopic Mass | 236.17g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number