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1131605-27-0 | 8-Iodoisoquinoline
CAS No: 1131605-27-0 Catalog No: AG00HCL6 MDL No:MFCD11865312
Product Description
Catalog Number:
AG00HCL6
Chemical Name:
8-Iodoisoquinoline
CAS Number:
1131605-27-0
Molecular Formula:
C9H6IN
Molecular Weight:
255.0551
MDL Number:
MFCD11865312
IUPAC Name:
8-iodoisoquinoline
InChI:
InChI=1S/C9H6IN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-6H
InChI Key:
HQUAAVGLCWGKJE-UHFFFAOYSA-N
SMILES:
Ic1cccc2c1cncc2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.954g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.058g/mol
Monoisotopic Mass:
254.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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