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Home > Nitro Compounds > 103698-10-8
103698-10-8 | Methyl 3-nitroisonicotinate
CAS No: 103698-10-8 Catalog No: AG003RT7 MDL No:MFCD16657194
Product Description
Catalog Number:
AG003RT7
Chemical Name:
Methyl 3-nitroisonicotinate
CAS Number:
103698-10-8
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
MDL Number:
MFCD16657194
IUPAC Name:
methyl 3-nitropyridine-4-carboxylate
InChI:
InChI=1S/C7H6N2O4/c1-13-7(10)5-2-3-8-4-6(5)9(11)12/h2-4H,1H3
InChI Key:
VFZBLITUPLITGH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccncc1[N+](=O)[O-]
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.135g/mol
Monoisotopic Mass:
182.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| A simple synthetic route to methyl 3-fluoropyridine-4-carboxylate by nucleophilic aromatic substitution. | Molecules (Basel, Switzerland) 20060225 |
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