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1093759-40-0 | Ethyl 3-nitroisonicotinate
CAS No: 1093759-40-0 Catalog No: AG01EDT3 MDL No:
Product Description
Catalog Number:
AG01EDT3
Chemical Name:
Ethyl 3-nitroisonicotinate
CAS Number:
1093759-40-0
IUPAC Name:
ethyl 3-nitropyridine-4-carboxylate
InChI:
InChI=1S/C8H8N2O4/c1-2-14-8(11)6-3-4-9-5-7(6)10(12)13/h3-5H,2H2,1H3
InChI Key:
SOFXBOGIXRXCOO-UHFFFAOYSA-N
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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