1198605-53-6
METHYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLE-2-CARBOXYLATE
NameMETHYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLE-2-CARBOXYLATE
pro_formulaC12 H18 B N O4
1Identification
【Name】
METHYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLE-2-CARBOXYLATE
【CAS】
【MDL】
MFCD16995409
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H18 B N O4
【pro_molWeight】
251.088
【Inchi】
InChI=1S/C12H18BNO4/c1-11(2)12(3,4)18-13(17-11)8-6-9(14-7-8)10(15)16-5/h6-7,14H,1-5H3
【InChIKey】
InChIKey=FHFIOJIHWCKHMQ-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc([nH]c2)C(=O)OC
【MOL File】
METHYL 4-(4,4,5,5-TE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
METHYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLE-2-CARBOXYLATE.cml