22354-79-6
5-BROMO-2-METHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
Name5-BROMO-2-METHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
1Identification
【Name】
5-BROMO-2-METHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
【CAS】
【MDL】
MFCD16556143
【English Synonyms】
【Formula】
C3 H4 Br N3 O
【MolWeight】
177.989
【Inchi】
InChI=1S/C3H4BrN3O/c1-7-3(8)5-2(4)6-7/h1H3,(H,5,6,8)
【InChIKey】
InChIKey=JCBRCNSCPVADSI-UHFFFAOYSA-N
【SMILES】
Cn1c(=O)[nH]c(n1)Br
【MOL File】
5-BROMO-2-METHYL-2,4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BROMO-2-METHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE.cml