Isoquinoline, 1-iodo-


Chemical Name: Isoquinoline, 1-iodo-
CAS Number: 19658-77-6
Product Number: AG00ACU9(AGN-PC-0JU7JV)
Synonyms:
MDL No:
Molecular Formula: C9H6IN
Molecular Weight: 255.0551

Identification/Properties


Computed Properties
Molecular Weight:
255.058g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
254.954g/mol
Monoisotopic Mass:
254.954g/mol
Topological Polar Surface Area:
12.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
138
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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