869366-03-0
[3-[4-CHLORO-2-(2,6-DIFLUOROBENZOYL)PHENYL]PROP-2-YNYL]CARBAMIC ACID TERT-BUTYL ESTER
Name
[3-[4-CHLORO-2-(2,6-DIFLUOROBENZOYL)PHENYL]PROP-2-YNYL]CARBAMIC ACID TERT-BUTYL ESTER
Formula
C21 H18 Cl F2 N O3
MolWeight
405.826
1Identification
【Name】
[3-[4-CHLORO-2-(2,6-DIFLUOROBENZOYL)PHENYL]PROP-2-YNYL]CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09998831
【English Synonyms】
【Formula】
C21 H18 Cl F2 N O3
【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】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[3-[4-CHLORO-2-(2,6-DIFLUOROBENZOYL)PHENYL]PROP-2-YNYL]CARBAMIC ACID TERT-BUTYL ESTER.cml
Quick Release
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