1209597-12-5
6-BROMO-2-TERT-BUTYL-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONITRILE
Name6-BROMO-2-TERT-BUTYL-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONITRILE
1Identification
【Name】
6-BROMO-2-TERT-BUTYL-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONITRILE
【CAS】
【MDL】
MFCD11109930
【English Synonyms】
【Formula】
C14 H13 Br N2 O
【MolWeight】
305.174
【Inchi】
InChI=1S/C14H13BrN2O/c1-14(2,3)13-10(7-16)12(18)9-6-8(15)4-5-11(9)17-13/h4-6H,1-3H3,(H,17,18)
【InChIKey】
InChIKey=HQCGRLUWYHJYLO-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1c(c(=O)c2cc(ccc2[nH]1)Br)C#N
【MOL File】
6-BROMO-2-TERT-BUTYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-BROMO-2-TERT-BUTYL-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONITRILE.cml