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5330-73-4 | 1-[2-(4-nitrophenyl)-2-oxoethyl]pyridin-1-ium iodide
CAS No: 5330-73-4 Catalog No: AG00IMVI MDL No:MFCD00140545
Product Description
Catalog Number:
AG00IMVI
Chemical Name:
1-[2-(4-nitrophenyl)-2-oxoethyl]pyridin-1-ium iodide
CAS Number:
5330-73-4
Molecular Formula:
C13H11IN2O3
Molecular Weight:
370.1425
MDL Number:
MFCD00140545
IUPAC Name:
1-(4-nitrophenyl)-2-pyridin-1-ium-1-ylethanone;iodide
InChI:
InChI=1S/C13H11N2O3.HI/c16-13(10-14-8-2-1-3-9-14)11-4-6-12(7-5-11)15(17)18;/h1-9H,10H2;1H/q+1;/p-1
InChI Key:
ARAMQVNIFMNLOU-UHFFFAOYSA-M
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])C[n+]1ccccc1.[I-]
NSC Number:
2516
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.981g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.146g/mol
Monoisotopic Mass:
369.981g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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