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55270-33-2 | 4-IODOISOQUINOLINE
CAS No: 55270-33-2 Catalog No: AG00DGBS MDL No:MFCD00234496
Product Description
Catalog Number:
AG00DGBS
Chemical Name:
4-IODOISOQUINOLINE
CAS Number:
55270-33-2
Molecular Formula:
C9H6IN
Molecular Weight:
255.0551
MDL Number:
MFCD00234496
IUPAC Name:
4-iodoisoquinoline
InChI:
InChI=1S/C9H6IN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H
InChI Key:
LRPCCFSUFGFVBO-UHFFFAOYSA-N
SMILES:
Ic1cncc2c1cccc2
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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