869366-03-0
[3-[4-氯-2-(2,6-二氟苄基)苯基]丙基-2-基]氨基甲酸叔丁酯
Name
[3-[4-氯-2-(2,6-二氟苄基)苯基]丙基-2-基]氨基甲酸叔丁酯
pro_formula
C21 H18 Cl F2 N O3
pro_molWeight
405.826
1Identification
【Name】
[3-[4-氯-2-(2,6-二氟苄基)苯基]丙基-2-基]氨基甲酸叔丁酯
【CAS】
【MDL】
MFCD09998831
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H18 Cl F2 N O3
【pro_molWeight】
405.826
【Inchi】
InChI=1S/C21H18ClF2NO3/c1-21(2,3)28-20(27)25-11-5-6-13-9-10-14(22)12-15(13)19(26)18-16(23)7-4-8-17(18)24/h4,7-10,12H,11H2,1-3H3,(H,25,27)
【InChIKey】
InChIKey=VBIKFPDZZFBFHR-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NCC#Cc1ccc(cc1C(=O)c2c(cccc2F)F)Cl
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
[3-[4-氯-2-(2,6-二氟苄基)苯基]丙基-2-基]氨基甲酸叔丁酯.cml
quick_release
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