944897-42-1
5-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID
Name5-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
5-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD10696477
【English Synonyms】
【Formula】
C9 H6 F N3 O2
【MolWeight】
207.163
【Inchi】
InChI=1S/C9H6FN3O2/c10-6-3-1-5(2-4-6)7-11-8(9(14)15)13-12-7/h1-4H,(H,14,15)(H,11,12,13)
【InChIKey】
InChIKey=ZPDYFDIOKXVJFD-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2[nH]c(nn2)C(=O)O)F
【MOL File】
5-(4-FLUOROPHENYL)-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID.cml