Home Nitros ethyl 2-(4-nitrophenoxy)butanoate

ethyl 2-(4-nitrophenoxy)butanoate

CAS No.:
225102-05-6
Catalog Number:
AG01A6JA
Molecular Formula:
C12H15NO5
Molecular Weight:
253.2512
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Product Description
Catalog Number:
AG01A6JA
Chemical Name:
ethyl 2-(4-nitrophenoxy)butanoate
CAS Number:
225102-05-6
Molecular Formula:
C12H15NO5
Molecular Weight:
253.2512
MDL Number:
MFCD20143143
IUPAC Name:
ethyl 2-(4-nitrophenoxy)butanoate
InChI:
InChI=1S/C12H15NO5/c1-3-11(12(14)17-4-2)18-10-7-5-9(6-8-10)13(15)16/h5-8,11H,3-4H2,1-2H3
InChI Key:
NZSZBYKHXVLPBS-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OCC)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.095g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.254g/mol
Monoisotopic Mass:
253.095g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties