913237-90-8
1-[2-(2-FLUORO-5-METHYLPHENYL)-2-OXOETHYL]-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID
Name1-[2-(2-FLUORO-5-METHYLPHENYL)-2-OXOETHYL]-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
1-[2-(2-FLUORO-5-METHYLPHENYL)-2-OXOETHYL]-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD13191554
【English Synonyms】
【Formula】
C12 H10 F N3 O3
【MolWeight】
263.227
【Inchi】
InChI=1S/C12H10FN3O3/c1-7-2-3-9(13)8(4-7)10(17)5-16-6-14-11(15-16)12(18)19/h2-4,6H,5H2,1H3,(H,18,19)
【InChIKey】
InChIKey=AQQWUKMOULHLLP-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C(=O)Cn2cnc(n2)C(=O)O)F
【MOL File】
1-[2-(2-FLUORO-5-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[2-(2-FLUORO-5-METHYLPHENYL)-2-OXOETHYL]-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID.cml