554412-18-9
CARBAMIC ACID, [4-[(1,1-DIFLUOROETHYL)THIO]PHENYL]-, 1,1-DIMETHYLETHYL ESTER
Name
CARBAMIC ACID, [4-[(1,1-DIFLUOROETHYL)THIO]PHENYL]-, 1,1-DIMETHYLETHYL ESTER
Formula
C13 H17 F2 N O2 S
MolWeight
289.344
1Identification
【Name】
CARBAMIC ACID, [4-[(1,1-DIFLUOROETHYL)THIO]PHENYL]-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD03957209
【English Synonyms】
【Formula】
C13 H17 F2 N O2 S
【MolWeight】
289.344
【Inchi】
InChI=1S/C13H17F2NO2S/c1-12(2,3)18-11(17)16-9-5-7-10(8-6-9)19-13(4,14)15/h5-8H,1-4H3,(H,16,17)
【InChIKey】
InChIKey=MARADABQZJOCRS-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)Nc1ccc(cc1)SC(C)(F)F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CARBAMIC ACID, [4-[(1,1-DIFLUOROETHYL)THIO]PHENYL]-, 1,1-DIMETHYLETHYL ESTER.cml
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