Home Halogens ethyl 2-{[(tert-butoxy)carbonyl]amino}-3-(4-chlorophenyl)-3-hydroxypropanoate

ethyl 2-{[(tert-butoxy)carbonyl]amino}-3-(4-chlorophenyl)-3-hydroxypropanoate

CAS No.:
2044712-60-7
Catalog Number:
AG01A6HJ
Molecular Formula:
C16H22ClNO5
Molecular Weight:
343.8026
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Product Description
Catalog Number:
AG01A6HJ
Chemical Name:
ethyl 2-{[(tert-butoxy)carbonyl]amino}-3-(4-chlorophenyl)-3-hydroxypropanoate
CAS Number:
2044712-60-7
Molecular Formula:
C16H22ClNO5
Molecular Weight:
343.8026
MDL Number:
MFCD12405823
IUPAC Name:
ethyl 3-(4-chlorophenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C16H22ClNO5/c1-5-22-14(20)12(18-15(21)23-16(2,3)4)13(19)10-6-8-11(17)9-7-10/h6-9,12-13,19H,5H2,1-4H3,(H,18,21)
InChI Key:
WJQZUSWGRJVCCG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(c1ccc(cc1)Cl)O)NC(=O)OC(C)(C)C
Properties
Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.119g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
343.804g/mol
Monoisotopic Mass:
343.119g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties