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38710-51-9 | 2-Methylphthalazin-2-ium iodide
CAS No: 38710-51-9 Catalog No: AG01EVRX MDL No:
Product Description
Catalog Number:
AG01EVRX
Chemical Name:
2-Methylphthalazin-2-ium iodide
CAS Number:
38710-51-9
Molecular Formula:
C9H9IN2
Molecular Weight:
272.0856
IUPAC Name:
2-methylphthalazin-2-ium;iodide
InChI:
InChI=1S/C9H9N2.HI/c1-11-7-9-5-3-2-4-8(9)6-10-11;/h2-7H,1H3;1H/q+1;/p-1
InChI Key:
ZGTJQHLLPHATEO-UHFFFAOYSA-M
SMILES:
C[n+]1ncc2c(c1)cccc2.[I-]
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.981g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.089g/mol
Monoisotopic Mass:
271.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
16.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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