876518-64-8
TERT-BUTYL 7-(BROMOMETHYL)-1,2,4,5-TETRAHYDROBENZO[D]AZEPINE-3-CARBOXYLATE
NameTERT-BUTYL 7-(BROMOMETHYL)-1,2,4,5-TETRAHYDROBENZO[D]AZEPINE-3-CARBOXYLATE
1Identification
【Name】
TERT-BUTYL 7-(BROMOMETHYL)-1,2,4,5-TETRAHYDROBENZO[D]AZEPINE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD12408180
【English Synonyms】
【Formula】
C16 H22 Br N O2
【MolWeight】
340.259
【Inchi】
InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-8-6-13-5-4-12(11-17)10-14(13)7-9-18/h4-5,10H,6-9,11H2,1-3H3
【InChIKey】
InChIKey=ZGERKFKYESJACP-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)CBr
【MOL File】
TERT-BUTYL 7-(BROMOM….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-(BROMOMETHYL)-1,2,4,5-TETRAHYDROBENZO[D]AZEPINE-3-CARBOXYLATE.cml