494860-96-7
6-BROMO-2-(2,4-DIETHOXYPHENYL)QUINOLINE-4-CARBOXYLIC ACID
Name6-BROMO-2-(2,4-DIETHOXYPHENYL)QUINOLINE-4-CARBOXYLIC ACID
1Identification
【Name】
6-BROMO-2-(2,4-DIETHOXYPHENYL)QUINOLINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD02055932
【English Synonyms】
【Formula】
C20 H18 Br N O4
【MolWeight】
416.269
【Inchi】
InChI=1S/C20H18BrNO4/c1-3-25-13-6-7-14(19(10-13)26-4-2)18-11-16(20(23)24)15-9-12(21)5-8-17(15)22-18/h5-11H,3-4H2,1-2H3,(H,23,24)
【InChIKey】
InChIKey=KZYDJVKDQJNUED-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(c(c1)OCC)c2cc(c3cc(ccc3n2)Br)C(=O)O
【MOL File】
6-BROMO-2-(2,4-DIETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-BROMO-2-(2,4-DIETHOXYPHENYL)QUINOLINE-4-CARBOXYLIC ACID.cml