956897-66-8
2-(2,4,6-TRIMETHYL-PHENYL)-BENZOOXAZOLE
Name2-(2,4,6-TRIMETHYL-PHENYL)-BENZOOXAZOLE
1Identification
【Name】
2-(2,4,6-TRIMETHYL-PHENYL)-BENZOOXAZOLE
【CAS】
【MDL】
MFCD11856911
【English Synonyms】
【Formula】
C16 H15 N O
【MolWeight】
237.301
【Inchi】
InChI=1S/C16H15NO/c1-10-8-11(2)15(12(3)9-10)16-17-13-6-4-5-7-14(13)18-16/h4-9H,1-3H3
【InChIKey】
InChIKey=HTZAESJBYMHEBS-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c(c1)C)c2nc3ccccc3o2)C
【MOL File】
2-(2,4,6-TRIMETHYL-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2,4,6-TRIMETHYL-PHENYL)-BENZOOXAZOLE.cml