957120-67-1
4-(2-(4-(THPO-METHYL)-1,2,3-TRIAZOL-1-YL)ETHOXY)PHENYLBORONIC ACID, PINACOL ESTER
Name4-(2-(4-(THPO-METHYL)-1,2,3-TRIAZOL-1-YL)ETHOXY)PHENYLBORONIC ACID, PINACOL ESTER
pro_formulaC22 H32 B N3 O5
1Identification
【Name】
4-(2-(4-(THPO-METHYL)-1,2,3-TRIAZOL-1-YL)ETHOXY)PHENYLBORONIC ACID, PINACOL ESTER
【CAS】
【MDL】
MFCD09801044
【EnglishSynonyms】
【pro_formula】
C22 H32 B N3 O5
【pro_molWeight】
429.322
【Inchi】
InChI=1S/C22H32BN3O5/c1-21(2)22(3,4)31-23(30-21)17-8-10-19(11-9-17)27-14-12-26-15-18(24-25-26)16-29-20-7-5-6-13-28-20/h8-11,15,20H,5-7,12-14,16H2,1-4H3
【InChIKey】
InChIKey=USXCUHBUPFYBBL-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)OCCn3cc(nn3)COC4CCCCO4
【MOL File】
4-(2-(4-(THPO-METHYL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:8
XLogP3:2.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
4-(2-(4-(THPO-METHYL)-1,2,3-TRIAZOL-1-YL)ETHOXY)PHENYLBORONIC ACID, PINACOL ESTER.cml