217966-10-4
3-(CHLOROMETHYL)-4-PHENYL-1,2,5-OXADIAZOL-2-IUM-2-OLATE
Name3-(CHLOROMETHYL)-4-PHENYL-1,2,5-OXADIAZOL-2-IUM-2-OLATE
1Identification
【Name】
3-(CHLOROMETHYL)-4-PHENYL-1,2,5-OXADIAZOL-2-IUM-2-OLATE
【CAS】
【MDL】
MFCD17013667
【English Synonyms】
【Formula】
C9 H7 Cl N2 O2
【MolWeight】
210.619
【Inchi】
InChI=1S/C9H7ClN2O2/c10-6-8-9(11-14-12(8)13)7-4-2-1-3-5-7/h1-5H,6H2
【InChIKey】
InChIKey=NREYEXWRWAMJMT-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2c([n+](on2)[O-])CCl
【MOL File】
3-(CHLOROMETHYL)-4-P….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)
4CML File
3-(CHLOROMETHYL)-4-PHENYL-1,2,5-OXADIAZOL-2-IUM-2-OLATE.cml