Home Nitros Ethyl 2-nitrobenzoylacetate

Ethyl 2-nitrobenzoylacetate

CAS No.:
52119-39-8
Catalog Number:
AG003PZ7
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
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Product Description
Catalog Number:
AG003PZ7
Chemical Name:
Ethyl 2-nitrobenzoylacetate
CAS Number:
52119-39-8
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
MDL Number:
MFCD03424821
IUPAC Name:
ethyl 3-(2-nitrophenyl)-3-oxopropanoate
InChI:
InChI=1S/C11H11NO5/c1-2-17-11(14)7-10(13)8-5-3-4-6-9(8)12(15)16/h3-6H,2,7H2,1H3
InChI Key:
OWZNCVIBJQPNEF-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.064g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.211g/mol
Monoisotopic Mass:
237.064g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties