Home Other Building Blocks tert-butyl 2-(4-cyanophenoxy)acetate

tert-butyl 2-(4-cyanophenoxy)acetate

CAS No.:
147840-05-9
Catalog Number:
AG01C3S8
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
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Product Description
Catalog Number:
AG01C3S8
Chemical Name:
tert-butyl 2-(4-cyanophenoxy)acetate
CAS Number:
147840-05-9
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD04606982
IUPAC Name:
tert-butyl 2-(4-cyanophenoxy)acetate
InChI:
InChI=1S/C13H15NO3/c1-13(2,3)17-12(15)9-16-11-6-4-10(8-14)5-7-11/h4-7H,9H2,1-3H3
InChI Key:
CJXDECGJSGYAQU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OCC(=O)OC(C)(C)C
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties