892154-76-6
2-[2-(1H,1H,2H,2H-PERFLUOROOCTYL)ISOPROPOXYCARBONYLOXYIMINO]-2-PHENYLACETONITRILE
Name2-[2-(1H,1H,2H,2H-PERFLUOROOCTYL)ISOPROPOXYCARBONYLOXYIMINO]-2-PHENYLACETONITRILE
pro_formulaC20 H15 F13 N2 O3
1Identification
【Name】
2-[2-(1H,1H,2H,2H-PERFLUOROOCTYL)ISOPROPOXYCARBONYLOXYIMINO]-2-PHENYLACETONITRILE
【CAS】
【MDL】
MFCD03788319
【中文同义词】
【EnglishSynonyms】
2-[(4,4,5,5,6,6,7,7,8,8,9,9,9-TRIDECAFLUORO-1,1-DIMETHYLNONYLOXY) CARBONYLOXYIMINO]-2-PHENYLACETONITRILE
【pro_formula】
C20 H15 F13 N2 O3
【pro_molWeight】
578.323
【Inchi】
InChI=1S/C20H15F13N2O3/c1-14(2,37-13(36)38-35-12(10-34)11-6-4-3-5-7-11)8-9-15(21,22)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33/h3-7H,8-9H2,1-2H3/b35-12-
【InChIKey】
InChIKey=FYLRWWRMJXHQNS-OHLKXVFMSA-N
【SMILES】
CC(C)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)O/N=C(/C#N)\c1ccccc1
【MOL File】
2-[2-(1H,1H,2H,2H-PE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:9.0
Bulk/Fine:F
3MaterialMSDS
【secure_infosecure_symbol】
【secure_signal_word】
【secure_risk_stmt】
【secure_cautionary_stmt】
【secure_damage_code】
【secure_risk_disclosure_stmt】
【secure_security_stmt】
【secure_wgk_germany】
3
4CMLFile
2-[2-(1H,1H,2H,2H-PERFLUOROOCTYL)ISOPROPOXYCARBONYLOXYIMINO]-2-PHENYLACETONITRILE.cml