886366-43-4
2-(TERT-BUTOXYCARBONYLAMINO-METHYL)-3-(4-CHLORO-PHENYL)-PROPIONIC ACID METHYL ESTER
Name2-(TERT-BUTOXYCARBONYLAMINO-METHYL)-3-(4-CHLORO-PHENYL)-PROPIONIC ACID METHYL ESTER
1Identification
【Name】
2-(TERT-BUTOXYCARBONYLAMINO-METHYL)-3-(4-CHLORO-PHENYL)-PROPIONIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD08061214
【English Synonyms】
【Formula】
C16 H22 Cl N O4
【MolWeight】
327.806
【Inchi】
InChI=1S/C16H22ClNO4/c1-16(2,3)22-15(20)18-10-12(14(19)21-4)9-11-5-7-13(17)8-6-11/h5-8,12H,9-10H2,1-4H3,(H,18,20)
【InChIKey】
InChIKey=BHWDPWQAZJLFEX-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NCC(Cc1ccc(cc1)Cl)C(=O)OC
【MOL File】
2-(TERT-BUTOXYCARBON….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
2-(TERT-BUTOXYCARBONYLAMINO-METHYL)-3-(4-CHLORO-PHENYL)-PROPIONIC ACID METHYL ESTER.cml