54785-35-2
2-(4-CHLOROPHENYL)-5-(1-(5-TETRAZOLYL)ETHYL)BENZOXAZOLE
Name2-(4-CHLOROPHENYL)-5-(1-(5-TETRAZOLYL)ETHYL)BENZOXAZOLE
1Identification
【Name】
2-(4-CHLOROPHENYL)-5-(1-(5-TETRAZOLYL)ETHYL)BENZOXAZOLE
【CAS】
【MDL】
MFCD01664164
【English Synonyms】
【Formula】
C16 H12 Cl N5 O
【MolWeight】
325.758
【Inchi】
InChI=1S/C16H12ClN5O/c1-9(15-19-21-22-20-15)11-4-7-14-13(8-11)18-16(23-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20,21,22)
【InChIKey】
InChIKey=HWYDUXWJTPHYRD-UHFFFAOYSA-N
【SMILES】
CC(c1ccc2c(c1)nc(o2)c3ccc(cc3)Cl)c4[nH]nnn4
【MOL File】
2-(4-CHLOROPHENYL)-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-CHLOROPHENYL)-5-(1-(5-TETRAZOLYL)ETHYL)BENZOXAZOLE.cml