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101664-56-6

101664-56-6 | Pyridine, 2-chloro-3-fluoro-4-nitro-, 1-oxide

CAS No: 101664-56-6 Catalog No: AG000546 MDL No:MFCD04039346

Product Description

Catalog Number:
AG000546
Chemical Name:
Pyridine, 2-chloro-3-fluoro-4-nitro-, 1-oxide
CAS Number:
101664-56-6
Molecular Formula:
C5H2ClFN2O3
Molecular Weight:
192.5324
MDL Number:
MFCD04039346
IUPAC Name:
2-chloro-3-fluoro-4-nitro-1-oxidopyridin-1-ium
InChI:
InChI=1S/C5H2ClFN2O3/c6-5-4(7)3(9(11)12)1-2-8(5)10/h1-2H
InChI Key:
IQKSCEDCDQGAAO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc[n+](c(c1F)Cl)[O-]

Properties

Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.974g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.53g/mol
Monoisotopic Mass:
191.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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