5-Iodoquinolin-6-ol

CAT: 0926-NQA61654-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-NQA61654-01Size:0.25 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

388616-54-4

Smiles

C1=CC2=C (C=CC (=C2I) O) N=C1

Molecular Formula

C9H6INO

Molecular Weight

271.05 g/mol

Controlled

Chemical Information

5-Iodoquinolin-6-ol

CAS Number	388616-54-4
PubChem CID	23078302
IUPAC Name	5-iodoquinolin-6-ol
Molecular Formula	C9H6INO
Molecular Weight	271.05
XLogP	2.5
Topological Polar Surface Area	33.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	165

SMILES

C1=CC2=C(C=CC(=C2I)O)N=C1

InChI

InChI=1S/C9H6INO/c10-9-6-2-1-5-11-7(6)3-4-8(9)12/h1-5,12H

InChIKey

VAJFDWANDMXNBS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 388616-54-4

CID: 23078302

Formula: C9H6INO

MW: 271.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.05
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	270.94941
Monoisotopic Mass	270.94941
Topological Polar Surface Area	33.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes