866042-50-4
4-(((2,2,4-TRIMETHYL-2,3-DIHYDRO-1-BENZOFURAN-7-YL)IMINO)METHYL)BENZENECARBONITRILE
Name4-(((2,2,4-TRIMETHYL-2,3-DIHYDRO-1-BENZOFURAN-7-YL)IMINO)METHYL)BENZENECARBONITRILE
1Identification
【Name】
4-(((2,2,4-TRIMETHYL-2,3-DIHYDRO-1-BENZOFURAN-7-YL)IMINO)METHYL)BENZENECARBONITRILE
【CAS】
【MDL】
MFCD05670557
【English Synonyms】
【Formula】
C19 H18 N2 O
【MolWeight】
290.364
【Inchi】
InChI=1S/C19H18N2O/c1-13-4-9-17(18-16(13)10-19(2,3)22-18)21-12-15-7-5-14(11-20)6-8-15/h4-9,12H,10H2,1-3H3/b21-12+
【InChIKey】
InChIKey=XCBRANFKMWLMAI-CIAFOILYSA-N
【SMILES】
Cc1ccc(c2c1CC(O2)(C)C)/N=C/c3ccc(cc3)C#N
【MOL File】
4-(((2,2,4-TRIMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(((2,2,4-TRIMETHYL-2,3-DIHYDRO-1-BENZOFURAN-7-YL)IMINO)METHYL)BENZENECARBONITRILE.cml