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19658-77-6 | 1-IODOISOQUINOLINE
CAS No: 19658-77-6 Catalog No: AG00ACU9 MDL No:MFCD00234494
Product Description
Catalog Number:
AG00ACU9
Chemical Name:
1-IODOISOQUINOLINE
CAS Number:
19658-77-6
Molecular Formula:
C9H6IN
Molecular Weight:
255.0551
MDL Number:
MFCD00234494
IUPAC Name:
1-iodoisoquinoline
InChI:
InChI=1S/C9H6IN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
InChI Key:
FDDBUIWRNBGXHB-UHFFFAOYSA-N
SMILES:
Ic1nccc2c1cccc2
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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