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1000783-10-7 | 2-Pyridinecarboxylic acid, 4-amino-5-nitro-, ethyl ester
CAS No: 1000783-10-7 Catalog No: AG0000UB MDL No:MFCD13186745
Product Description
Catalog Number:
AG0000UB
Chemical Name:
2-Pyridinecarboxylic acid, 4-amino-5-nitro-, ethyl ester
CAS Number:
1000783-10-7
Molecular Formula:
C8H9N3O4
Molecular Weight:
211.1748
MDL Number:
MFCD13186745
IUPAC Name:
ethyl 4-amino-5-nitropyridine-2-carboxylate
InChI:
InChI=1S/C8H9N3O4/c1-2-15-8(12)6-3-5(9)7(4-10-6)11(13)14/h3-4H,2H2,1H3,(H2,9,10)
InChI Key:
PGSAVGAWCWMKJF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(cc1N)C(=O)OCC
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.177g/mol
Monoisotopic Mass:
211.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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