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49713-50-0 | 4-Quinolinol, 8-iodo-
CAS No: 49713-50-0 Catalog No: AG006YWQ MDL No:
Product Description
Catalog Number:
AG006YWQ
Chemical Name:
4-Quinolinol, 8-iodo-
CAS Number:
49713-50-0
Molecular Formula:
C9H6INO
Molecular Weight:
271.0545
IUPAC Name:
8-iodo-1H-quinolin-4-one
InChI:
InChI=1S/C9H6INO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-5H,(H,11,12)
InChI Key:
WTZKVPWLTHDRNQ-UHFFFAOYSA-N
SMILES:
Oc1ccnc2c1cccc2I
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.949g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.057g/mol
Monoisotopic Mass:
270.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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