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Home > Nitro Compounds > 910572-96-2
910572-96-2 | Benzoic acid, 2-ethoxy-4-nitro-, ethyl ester
CAS No: 910572-96-2 Catalog No: AG01FASR MDL No:
Product Description
Catalog Number:
AG01FASR
Chemical Name:
Benzoic acid, 2-ethoxy-4-nitro-, ethyl ester
CAS Number:
910572-96-2
Molecular Formula:
C11H13NO5
Molecular Weight:
239.2246
IUPAC Name:
ethyl 2-ethoxy-4-nitrobenzoate
InChI:
InChI=1S/C11H13NO5/c1-3-16-10-7-8(12(14)15)5-6-9(10)11(13)17-4-2/h5-7H,3-4H2,1-2H3
InChI Key:
VMIPKNWALSUQDX-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1C(=O)OCC)[N+](=O)[O-]
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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