886366-58-1
3-(3-BROMO-PHENYL)-2-(TERT-BUTOXYCARBONYLAMINO-METHYL)-PROPIONIC ACID METHYL ESTER
Name3-(3-BROMO-PHENYL)-2-(TERT-BUTOXYCARBONYLAMINO-METHYL)-PROPIONIC ACID METHYL ESTER
1Identification
【Name】
3-(3-BROMO-PHENYL)-2-(TERT-BUTOXYCARBONYLAMINO-METHYL)-PROPIONIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD08061219
【English Synonyms】
【Formula】
C16 H22 Br N O4
【MolWeight】
372.257
【Inchi】
InChI=1S/C16H22BrNO4/c1-16(2,3)22-15(20)18-10-12(14(19)21-4)8-11-6-5-7-13(17)9-11/h5-7,9,12H,8,10H2,1-4H3,(H,18,20)
【InChIKey】
InChIKey=UWWMGLQOPOCMBR-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NCC(Cc1cccc(c1)Br)C(=O)OC
【MOL File】
3-(3-BROMO-PHENYL)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(3-BROMO-PHENYL)-2-(TERT-BUTOXYCARBONYLAMINO-METHYL)-PROPIONIC ACID METHYL ESTER.cml