530080-48-9
1-(3-BROMOPHENYL)-1,2-DIHYDRO-5H-TETRAZOL-5-ONE
Name1-(3-BROMOPHENYL)-1,2-DIHYDRO-5H-TETRAZOL-5-ONE
1Identification
【Name】
1-(3-BROMOPHENYL)-1,2-DIHYDRO-5H-TETRAZOL-5-ONE
【CAS】
【MDL】
MFCD08705786
【English Synonyms】
【Formula】
C7 H5 Br N4 O
【MolWeight】
241.048
【Inchi】
InChI=1S/C7H5BrN4O/c8-5-2-1-3-6(4-5)12-7(13)9-10-11-12/h1-4H,(H,9,11,13)
【InChIKey】
InChIKey=TUJCPWQOLPZLAF-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Br)n2c(=O)nn[nH]2
【MOL File】
1-(3-BROMOPHENYL)-1,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-BROMOPHENYL)-1,2-DIHYDRO-5H-TETRAZOL-5-ONE.cml