596845-50-0
2-BROMO-7-METHYL-4-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID
Name2-BROMO-7-METHYL-4-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID
1Identification
【Name】
2-BROMO-7-METHYL-4-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD20924629
【English Synonyms】
【Formula】
C12 H7 Br F3 N O2
【MolWeight】
334.09
【Inchi】
InChI=1S/C12H7BrF3NO2/c1-5-2-3-6-7(4-5)17-10(13)8(11(18)19)9(6)12(14,15)16/h2-4H,1H3,(H,18,19)
【InChIKey】
InChIKey=SUHJJWIBWXKKAF-UHFFFAOYSA-N
【SMILES】
Cc1ccc2c(c1)nc(c(c2C(F)(F)F)C(=O)O)Br
【MOL File】
2-BROMO-7-METHYL-4-(….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
2-BROMO-7-METHYL-4-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID.cml