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891782-57-3 | Ethyl 4-(2-ethoxy-2-oxoethyl)-3-nitrobenzoate
CAS No: 891782-57-3 Catalog No: AG003WE5 MDL No:MFCD08437616
Product Description
Catalog Number:
AG003WE5
Chemical Name:
Ethyl 4-(2-ethoxy-2-oxoethyl)-3-nitrobenzoate
CAS Number:
891782-57-3
Molecular Formula:
C13H15NO6
Molecular Weight:
281.2613
MDL Number:
MFCD08437616
IUPAC Name:
ethyl 4-(2-ethoxy-2-oxoethyl)-3-nitrobenzoate
InChI:
InChI=1S/C13H15NO6/c1-3-19-12(15)8-9-5-6-10(13(16)20-4-2)7-11(9)14(17)18/h5-7H,3-4,8H2,1-2H3
InChI Key:
SKZKACZIGOSXQL-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(cc1[N+](=O)[O-])C(=O)OCC
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.264g/mol
Monoisotopic Mass:
281.09g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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