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13327-31-6 | Quinoline, 6-iodo-
CAS No: 13327-31-6 Catalog No: AG0014J3 MDL No:MFCD08457906
Product Description
Catalog Number:
AG0014J3
Chemical Name:
Quinoline, 6-iodo-
CAS Number:
13327-31-6
Molecular Formula:
C9H6IN
Molecular Weight:
255.0551
MDL Number:
MFCD08457906
IUPAC Name:
6-iodoquinoline
InChI:
InChI=1S/C9H6IN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H
InChI Key:
WKTASELJZCIVBR-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)cccn2
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:
2.9
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