740842-88-0
TERT-BUTYL 7-BROMO-1,2,4,5-TETRAHYDROBENZO[D]AZEPINE-3-CARBOXYLATE
NameTERT-BUTYL 7-BROMO-1,2,4,5-TETRAHYDROBENZO[D]AZEPINE-3-CARBOXYLATE
1Identification
【Name】
TERT-BUTYL 7-BROMO-1,2,4,5-TETRAHYDROBENZO[D]AZEPINE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD16987626
【English Synonyms】
【Formula】
C15 H20 Br N O2
【MolWeight】
326.232
【Inchi】
InChI=1S/C15H20BrNO2/c1-15(2,3)19-14(18)17-8-6-11-4-5-13(16)10-12(11)7-9-17/h4-5,10H,6-9H2,1-3H3
【InChIKey】
InChIKey=UICPNVVRZYJXAM-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Br
【MOL File】
TERT-BUTYL 7-BROMO-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL 7-BROMO-1,2,4,5-TETRAHYDROBENZO[D]AZEPINE-3-CARBOXYLATE.cml