97507-52-3
2-PHENYL-2,5,6,7-TETRAHYDRO-4H-1,2,3-BENZOTRIAZOL-4-ONE
Name2-PHENYL-2,5,6,7-TETRAHYDRO-4H-1,2,3-BENZOTRIAZOL-4-ONE
1Identification
【Name】
2-PHENYL-2,5,6,7-TETRAHYDRO-4H-1,2,3-BENZOTRIAZOL-4-ONE
【CAS】
【MDL】
MFCD00168390
【English Synonyms】
【Formula】
C12 H11 N3 O
【MolWeight】
213.239
【Inchi】
InChI=1S/C12H11N3O/c16-11-8-4-7-10-12(11)14-15(13-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
【InChIKey】
InChIKey=VQHCVLOZJJUGAQ-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)n2nc3c(n2)C(=O)CCC3
【MOL File】
2-PHENYL-2,5,6,7-TET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
2-PHENYL-2,5,6,7-TETRAHYDRO-4H-1,2,3-BENZOTRIAZOL-4-ONE.cml