1354485-66-7
1,2-Pyrrolidinedicarboxylic acid, 4-(4-bromophenoxy)-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
Name1,2-Pyrrolidinedicarboxylic acid, 4-(4-bromophenoxy)-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
1Identification
【Name】
1,2-Pyrrolidinedicarboxylic acid, 4-(4-bromophenoxy)-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
【CAS】
【MDL】
【English Synonyms】
【Formula】
C16H19BrNO5
【MolWeight】
385.23
【Inchi】
InChI=1S/C16H20BrNO5/c1-16(2,3)23-15(21)18-9-12(8-13(18)14(19)20)22-11-6-4-10(17)5-7-11/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)/p-1/t12-,13-/m0/s1
【InChIKey】
InChIKey=YKOUHSOOTWRBHO-STQMWFEESA-M
【SMILES】
BrC1=CC=C(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)[O-])C=C1
【MOL File】
1,2-Pyrrolidinedicar….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
1,2-Pyrrolidinedicarboxylic acid, 4-(4-bromophenoxy)-, 1-(1,1-dimethylethyl) ester, (2S,4S)-.cml