847818-80-8
3-METHYL-1-PROPYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
Name3-METHYL-1-PROPYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
pro_formulaC13 H23 B N2 O2
1Identification
【Name】
3-METHYL-1-PROPYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
【CAS】
【MDL】
MFCD12405651
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H23 B N2 O2
【pro_molWeight】
250.148
【Inchi】
InChI=1S/C13H23BN2O2/c1-7-8-16-11(9-10(2)15-16)14-17-12(3,4)13(5,6)18-14/h9H,7-8H2,1-6H3
【InChIKey】
InChIKey=NPVZCPBYUYTYFR-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(nn2CCC)C
【MOL File】
3-METHYL-1-PROPYL-5-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
3-METHYL-1-PROPYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE.cml