57322-63-1
2-(CHLORODIFLUOROMETHYL)-4-NITRO-6-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID ISOPROPYL ESTER
Name2-(CHLORODIFLUOROMETHYL)-4-NITRO-6-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID ISOPROPYL ESTER
FormulaC13 H9 Cl F5 N3 O4
1Identification
【Name】
2-(CHLORODIFLUOROMETHYL)-4-NITRO-6-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID ISOPROPYL ESTER
【CAS】
【MDL】
MFCD21604623
【English Synonyms】
【Formula】
C13 H9 Cl F5 N3 O4
【MolWeight】
401.674
【Inchi】
InChI=1S/C13H9ClF5N3O4/c1-5(2)26-11(23)21-7-3-6(13(17,18)19)4-8(22(24)25)9(7)20-10(21)12(14,15)16/h3-5H,1-2H3
【InChIKey】
InChIKey=NIELVRSOUUQHKT-UHFFFAOYSA-N
【SMILES】
CC(C)OC(=O)n1c2cc(cc(c2nc1C(F)(F)Cl)[N+](=O)[O-])C(F)(F)F
【MOL File】
2-(CHLORODIFLUOROMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(CHLORODIFLUOROMETHYL)-4-NITRO-6-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID ISOPROPYL ESTER.cml