587886-17-7
4,8-DIBROMO-2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID
Name4,8-DIBROMO-2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID
FormulaC11 H4 Br2 F3 N O2
1Identification
【Name】
4,8-DIBROMO-2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD20925321
【English Synonyms】
【Formula】
C11 H4 Br2 F3 N O2
【MolWeight】
398.96
【Inchi】
InChI=1S/C11H4Br2F3NO2/c12-5-3-1-2-4-7(13)6(10(18)19)9(11(14,15)16)17-8(4)5/h1-3H,(H,18,19)
【InChIKey】
InChIKey=FZSXYFCOBPSRCG-UHFFFAOYSA-N
【SMILES】
c1cc2c(c(c1)Br)nc(c(c2Br)C(=O)O)C(F)(F)F
【MOL File】
4,8-DIBROMO-2-(TRIFL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,8-DIBROMO-2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID.cml