914101-08-9
4-[[1-[(3-HYDROXYPHENYL)METHYL]-4,4-DIMETHYL-2-OXO-3-PYRROLIDINYL]OXY]-2-(TRIFLUOROMETHYL)-BENZONITRILE
Name4-[[1-[(3-HYDROXYPHENYL)METHYL]-4,4-DIMETHYL-2-OXO-3-PYRROLIDINYL]OXY]-2-(TRIFLUOROMETHYL)-BENZONITRILE
1Identification
【Name】
4-[[1-[(3-HYDROXYPHENYL)METHYL]-4,4-DIMETHYL-2-OXO-3-PYRROLIDINYL]OXY]-2-(TRIFLUOROMETHYL)-BENZONITRILE
【CAS】
【MDL】
MFCD14584716
【English Synonyms】
【Formula】
C21 H19 F3 N2 O3
【MolWeight】
404.386
【Inchi】
InChI=1S/C21H19F3N2O3/c1-20(2)12-26(11-13-4-3-5-15(27)8-13)19(28)18(20)29-16-7-6-14(10-25)17(9-16)21(22,23)24/h3-9,18,27H,11-12H2,1-2H3
【InChIKey】
InChIKey=UBXHJVXSLABPIA-UHFFFAOYSA-N
【SMILES】
CC1(CN(C(=O)C1Oc2ccc(c(c2)C(F)(F)F)C#N)Cc3cccc(c3)O)C
【MOL File】
4-[[1-[(3-HYDROXYPHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[[1-[(3-HYDROXYPHENYL)METHYL]-4,4-DIMETHYL-2-OXO-3-PYRROLIDINYL]OXY]-2-(TRIFLUOROMETHYL)-BENZONITRILE.cml