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28607-83-2 | 1-Benzamidopyridin-1-ium iodide
CAS No: 28607-83-2 Catalog No: AG01EUOI MDL No:
Product Description
Catalog Number:
AG01EUOI
Chemical Name:
1-Benzamidopyridin-1-ium iodide
CAS Number:
28607-83-2
Molecular Formula:
C12H11IN2O
Molecular Weight:
326.1330
IUPAC Name:
N-pyridin-1-ium-1-ylbenzamide;iodide
InChI:
InChI=1S/C12H10N2O.HI/c15-12(11-7-3-1-4-8-11)13-14-9-5-2-6-10-14;/h1-10H;1H
InChI Key:
INNXHVAEFLXCCI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)N[n+]1ccccc1.[I-]
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.992g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.137g/mol
Monoisotopic Mass:
325.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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