788824-50-0
[2-(4-HYDROXY-3-IODO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
Name[2-(4-HYDROXY-3-IODO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
pro_formulaC13 H18 I N O3
1Identification
【Name】
[2-(4-HYDROXY-3-IODO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD07779453
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H18 I N O3
【pro_molWeight】
363.189
【Inchi】
InChI=1S/C13H18INO3/c1-13(2,3)18-12(17)15-7-6-9-4-5-11(16)10(14)8-9/h4-5,8,16H,6-7H2,1-3H3,(H,15,17)
【InChIKey】
InChIKey=VJMBWFNUOPTEOS-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NCCc1ccc(c(c1)I)O
【MOL File】
[2-(4-HYDROXY-3-IODO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
[2-(4-HYDROXY-3-IODO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER.cml