258515-65-0
TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
NameTERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
1Identification
【Name】
TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
【CAS】
【MDL】
MFCD08752229
【English Synonyms】
【Formula】
C14 H18 Br N O2
【MolWeight】
312.205
【Inchi】
InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9H2,1-3H3
【InChIKey】
InChIKey=PWPKRLMPHNRWHK-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCc2ccc(cc2C1)Br
【MOL File】
TERT-BUTYL 7-BROMO-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE.cml