960402-39-5
1-AZETIDINECARBOXYLIC ACID, 3-(4-BROMOPHENOXY)-, 1,1-DIMETHYLETHYL ESTER
Name1-AZETIDINECARBOXYLIC ACID, 3-(4-BROMOPHENOXY)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1-AZETIDINECARBOXYLIC ACID, 3-(4-BROMOPHENOXY)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD17215696
【English Synonyms】
【Formula】
C14 H18 Br N O3
【MolWeight】
328.204
【Inchi】
InChI=1S/C14H18BrNO3/c1-14(2,3)19-13(17)16-8-12(9-16)18-11-6-4-10(15)5-7-11/h4-7,12H,8-9H2,1-3H3
【InChIKey】
InChIKey=NBSUQHNPRXCCEP-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CC(C1)Oc2ccc(cc2)Br
【MOL File】
1-AZETIDINECARBOXYLI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-AZETIDINECARBOXYLIC ACID, 3-(4-BROMOPHENOXY)-, 1,1-DIMETHYLETHYL ESTER.cml