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1221793-68-5 | Pyridine, 3-chloro-5-fluoro-, 1-oxide
CAS No: 1221793-68-5 Catalog No: AG0016VV MDL No:MFCD16036157
Product Description
Catalog Number:
AG0016VV
Chemical Name:
Pyridine, 3-chloro-5-fluoro-, 1-oxide
CAS Number:
1221793-68-5
Molecular Formula:
C5H3ClFNO
Molecular Weight:
147.5348
MDL Number:
MFCD16036157
IUPAC Name:
3-chloro-5-fluoro-1-oxidopyridin-1-ium
InChI:
InChI=1S/C5H3ClFNO/c6-4-1-5(7)3-8(9)2-4/h1-3H
InChI Key:
KAZGNPCUIRKMRY-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)c[n+](c1)[O-]
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.989g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.533g/mol
Monoisotopic Mass:
146.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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