98165-40-3
1-(2,4-DIBROMOPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YL)ETHANONE
Name1-(2,4-DIBROMOPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YL)ETHANONE
1Identification
【Name】
1-(2,4-DIBROMOPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YL)ETHANONE
【CAS】
【MDL】
MFCD00624193
【English Synonyms】
【Formula】
C10 H7 Br2 N3 O
【MolWeight】
344.993
【Inchi】
InChI=1S/C10H7Br2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2
【InChIKey】
InChIKey=LGPGJLWPLPLZAZ-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1Br)Br)C(=O)Cn2cncn2
【MOL File】
1-(2,4-DIBROMOPHENYL….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
1-(2,4-DIBROMOPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YL)ETHANONE.cml