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71636-07-2 | 1-methyl-5-nitroquinolin-1-ium iodide
CAS No: 71636-07-2 Catalog No: AG01B7I4 MDL No:MFCD22125887
Product Description
Catalog Number:
AG01B7I4
Chemical Name:
1-methyl-5-nitroquinolin-1-ium iodide
CAS Number:
71636-07-2
Molecular Formula:
C10H9IN2O2
Molecular Weight:
316.0951
MDL Number:
MFCD22125887
IUPAC Name:
1-methyl-5-nitroquinolin-1-ium;iodide
InChI:
InChI=1S/C10H9N2O2.HI/c1-11-7-3-4-8-9(11)5-2-6-10(8)12(13)14;/h2-7H,1H3;1H/q+1;/p-1
InChI Key:
CZWVDQJRKFSOAG-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1cccc2c1ccc[n+]2C.[I-]
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.098g/mol
Monoisotopic Mass:
315.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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