3659-77-6
4-METHYL-2-PHENYL-1H-1,3-BENZODIAZOLE
Name4-METHYL-2-PHENYL-1H-1,3-BENZODIAZOLE
1Identification
【Name】
4-METHYL-2-PHENYL-1H-1,3-BENZODIAZOLE
【CAS】
【MDL】
MFCD00453936
【English Synonyms】
【Formula】
C14 H12 N2
【MolWeight】
208.263
【Inchi】
InChI=1S/C14H12N2/c1-10-6-5-9-12-13(10)16-14(15-12)11-7-3-2-4-8-11/h2-9H,1H3,(H,15,16)
【InChIKey】
InChIKey=FXYKUYWNZGYJPF-UHFFFAOYSA-N
【SMILES】
Cc1cccc2c1nc([nH]2)c3ccccc3
【MOL File】
4-METHYL-2-PHENYL-1H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-2-PHENYL-1H-1,3-BENZODIAZOLE.cml