92972-83-3
5-(5-(4-METHYLPHENYL)-2-FURANYL)-1H-TETRAZOLE-1-ACETIC ACID
Name5-(5-(4-METHYLPHENYL)-2-FURANYL)-1H-TETRAZOLE-1-ACETIC ACID
1Identification
【Name】
5-(5-(4-METHYLPHENYL)-2-FURANYL)-1H-TETRAZOLE-1-ACETIC ACID
【CAS】
【MDL】
MFCD01682594
【English Synonyms】
【Formula】
C14 H12 N4 O3
【MolWeight】
284.274
【Inchi】
InChI=1S/C14H12N4O3/c1-9-2-4-10(5-3-9)11-6-7-12(21-11)14-15-16-17-18(14)8-13(19)20/h2-7H,8H2,1H3,(H,19,20)
【InChIKey】
InChIKey=GFDGYPBHUJIGIR-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)c2ccc(o2)c3nnnn3CC(=O)O
【MOL File】
5-(5-(4-METHYLPHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(5-(4-METHYLPHENYL)-2-FURANYL)-1H-TETRAZOLE-1-ACETIC ACID.cml