65783-35-9
4-[2-NITRO-4-(TRIFLUOROMETHYL)ANILINO]BUTANOIC ACID
Name4-[2-NITRO-4-(TRIFLUOROMETHYL)ANILINO]BUTANOIC ACID
1Identification
【Name】
4-[2-NITRO-4-(TRIFLUOROMETHYL)ANILINO]BUTANOIC ACID
【CAS】
【MDL】
MFCD00586806
【English Synonyms】
【Formula】
C11 H11 F3 N2 O4
【MolWeight】
292.212
【Inchi】
InChI=1S/C11H11F3N2O4/c12-11(13,14)7-3-4-8(9(6-7)16(19)20)15-5-1-2-10(17)18/h3-4,6,15H,1-2,5H2,(H,17,18)
【InChIKey】
InChIKey=RKFUORRKPYWPGT-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NCCCC(=O)O
【MOL File】
4-[2-NITRO-4-(TRIFLU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-[2-NITRO-4-(TRIFLUOROMETHYL)ANILINO]BUTANOIC ACID.cml