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141452-16-6 | 2-Pyridinecarboximidoyl chloride, N-[(3-pyridinylcarbonyl)oxy]-
CAS No: 141452-16-6 Catalog No: AG001GEF MDL No:
Product Description
Catalog Number:
AG001GEF
Chemical Name:
2-Pyridinecarboximidoyl chloride, N-[(3-pyridinylcarbonyl)oxy]-
CAS Number:
141452-16-6
Molecular Formula:
C12H8ClN3O2
Molecular Weight:
261.6638
IUPAC Name:
[[chloro(pyridin-2-yl)methylidene]amino] pyridine-3-carboxylate
InChI:
InChI=1S/C12H8ClN3O2/c13-11(10-5-1-2-7-15-10)16-18-12(17)9-4-3-6-14-8-9/h1-8H
InChI Key:
IQFQSYFWCJQOQD-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)ON=C(c1ccccn1)Cl
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.665g/mol
Monoisotopic Mass:
261.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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