1210196-09-0
6-BROMO-2-ISOPROPYL-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONITRILE
Name6-BROMO-2-ISOPROPYL-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONITRILE
1Identification
【Name】
6-BROMO-2-ISOPROPYL-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONITRILE
【CAS】
【MDL】
MFCD11109929
【English Synonyms】
【Formula】
C13 H11 Br N2 O
【MolWeight】
291.147
【Inchi】
InChI=1S/C13H11BrN2O/c1-7(2)12-10(6-15)13(17)9-5-8(14)3-4-11(9)16-12/h3-5,7H,1-2H3,(H,16,17)
【InChIKey】
InChIKey=GHTDVLJTFMLHKX-UHFFFAOYSA-N
【SMILES】
CC(C)c1c(c(=O)c2cc(ccc2[nH]1)Br)C#N
【MOL File】
6-BROMO-2-ISOPROPYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-BROMO-2-ISOPROPYL-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONITRILE.cml