24058-92-2
1,5-DIPHENYL-1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID
Name1,5-DIPHENYL-1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
1,5-DIPHENYL-1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD02679989
【English Synonyms】
【Formula】
C15 H11 N3 O2
【MolWeight】
265.271
【Inchi】
InChI=1S/C15H11N3O2/c19-15(20)13-16-14(11-7-3-1-4-8-11)18(17-13)12-9-5-2-6-10-12/h1-10H,(H,19,20)
【InChIKey】
InChIKey=RBJKFWPNGGRTOV-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2nc(nn2c3ccccc3)C(=O)O
【MOL File】
1,5-DIPHENYL-1H-[1,2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,5-DIPHENYL-1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID.cml