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827342-88-1 | Pyridine, 2-azido-6-chloro-, 1-oxide
CAS No: 827342-88-1 Catalog No: AG004UUR MDL No:
Product Description
Catalog Number:
AG004UUR
Chemical Name:
Pyridine, 2-azido-6-chloro-, 1-oxide
CAS Number:
827342-88-1
Molecular Formula:
C5H3ClN4O
Molecular Weight:
170.5565
IUPAC Name:
2-azido-6-chloro-1-oxidopyridin-1-ium
InChI:
InChI=1S/C5H3ClN4O/c6-4-2-1-3-5(8-9-7)10(4)11/h1-3H
InChI Key:
ATLKDFBXGKXRLM-UHFFFAOYSA-N
SMILES:
[O-][n+]1c(cccc1Cl)N=[N+]=[N-]
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.556g/mol
Monoisotopic Mass:
170g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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