27311-88-2
4-(6-BROMO-4-CHLORO-2-METHYLQUINOLIN-3-YL)BUTAN-2-ONE
Name4-(6-BROMO-4-CHLORO-2-METHYLQUINOLIN-3-YL)BUTAN-2-ONE
1Identification
【Name】
4-(6-BROMO-4-CHLORO-2-METHYLQUINOLIN-3-YL)BUTAN-2-ONE
【CAS】
【MDL】
MFCD01143185
【English Synonyms】
【Formula】
C14 H13 Br Cl N O
【MolWeight】
326.62
【Inchi】
InChI=1S/C14H13BrClNO/c1-8(18)3-5-11-9(2)17-13-6-4-10(15)7-12(13)14(11)16/h4,6-7H,3,5H2,1-2H3
【InChIKey】
InChIKey=UXTJVRBASMVHGG-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c2cc(ccc2n1)Br)Cl)CCC(=O)C
【MOL File】
4-(6-BROMO-4-CHLORO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(6-BROMO-4-CHLORO-2-METHYLQUINOLIN-3-YL)BUTAN-2-ONE.cml