41729-43-5
2-(2-N-ACETANILINO)VINYL-5,6-DIMETHYL-3-ETHYLBENZOXAZOLIUM IODIDE
Name2-(2-N-ACETANILINO)VINYL-5,6-DIMETHYL-3-ETHYLBENZOXAZOLIUM IODIDE
pro_formulaC21 H23 N2 O2 . I
1Identification
【Name】
2-(2-N-ACETANILINO)VINYL-5,6-DIMETHYL-3-ETHYLBENZOXAZOLIUM IODIDE
【CAS】
【MDL】
MFCD00031756
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H23 N2 O2 . I
【pro_molWeight】
462.325
【Inchi】
InChI=1S/C21H23N2O2.HI/c1-5-22-19-13-15(2)16(3)14-20(19)25-21(22)11-12-23(17(4)24)18-9-7-6-8-10-18;/h6-14H,5H2,1-4H3;1H/q+1;/p-1
【InChIKey】
InChIKey=ZXWXLKDCEHARTI-UHFFFAOYSA-M
【SMILES】
CC[n+]1c2cc(c(cc2oc1/C=C/N(c3ccccc3)C(=O)C)C)C.[I-]
【MOL File】
2-(2-N-ACETANILINO)V….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-(2-N-ACETANILINO)VINYL-5,6-DIMETHYL-3-ETHYLBENZOXAZOLIUM IODIDE.cml