251097-65-1
4-METHYL-2-(([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)AMINO)PENTANOIC ACID
Name4-METHYL-2-(([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)AMINO)PENTANOIC ACID
1Identification
【Name】
4-METHYL-2-(([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)AMINO)PENTANOIC ACID
【CAS】
【MDL】
MFCD00173033
【English Synonyms】
【Formula】
C13 H16 F3 N O4 S
【MolWeight】
339.332
【Inchi】
InChI=1S/C13H16F3NO4S/c1-8(2)6-11(12(18)19)17-22(20,21)10-5-3-4-9(7-10)13(14,15)16/h3-5,7-8,11,17H,6H2,1-2H3,(H,18,19)
【InChIKey】
InChIKey=PGVOZRMIHHGLDI-UHFFFAOYSA-N
【SMILES】
CC(C)CC(C(=O)O)NS(=O)(=O)c1cccc(c1)C(F)(F)F
【MOL File】
4-METHYL-2-(([3-(TRI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-2-(([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)AMINO)PENTANOIC ACID.cml