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16013-85-7 | Pyridine, 2,6-dichloro-3-nitro-
CAS No: 16013-85-7 Catalog No: AG001RPE MDL No:MFCD00006234
Product Description
Catalog Number:
AG001RPE
Chemical Name:
Pyridine, 2,6-dichloro-3-nitro-
CAS Number:
16013-85-7
Molecular Formula:
C5H2Cl2N2O2
Molecular Weight:
192.9876
MDL Number:
MFCD00006234
IUPAC Name:
2,6-dichloro-3-nitropyridine
InChI:
InChI=1S/C5H2Cl2N2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H
InChI Key:
SHCWQWRTKPNTEM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1Cl)Cl
EC Number:
240-151-1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.983g/mol
Monoisotopic Mass:
191.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| 2,6-Dichloro-3-nitro-pyridine. | Acta crystallographica. Section E, Structure reports online 20110701 |
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