153334-22-6
(4-CHLOROPHENYL)(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)METHANONE
Name(4-CHLOROPHENYL)(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)METHANONE
1Identification
【Name】
(4-CHLOROPHENYL)(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)METHANONE
【CAS】
【MDL】
MFCD03076630
【English Synonyms】
【Formula】
C10 H8 Cl N3 O
【MolWeight】
221.646
【Inchi】
InChI=1S/C10H8ClN3O/c1-14-10(12-6-13-14)9(15)7-2-4-8(11)5-3-7/h2-6H,1H3
【InChIKey】
InChIKey=PDHKVSPCABAUFZ-UHFFFAOYSA-N
【SMILES】
Cn1c(ncn1)C(=O)c2ccc(cc2)Cl
【MOL File】
(4-CHLOROPHENYL)(1-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4-CHLOROPHENYL)(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)METHANONE.cml