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2-Chloroquinolin-8-ol

CAT: 0926-FC130042Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FC130042Size:1 g
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CAS Number
31568-91-9
Synonyms
8-quinolinol, 2-chloro-
MDL Number
MFCD00168950
Smiles
C1=CC2=C (C (=C1) O) N=C (C=C2) Cl
Molecular Formula
C9H6ClNO
Molecular Weight
179.6 g/mol
Controlled
No

Chemical Information

2-Chloroquinolin-8-ol
CAS Number31568-91-9
PubChem CID274878
IUPAC Name2-chloroquinolin-8-ol
Molecular FormulaC9H6ClNO
Molecular Weight179.60
XLogP2.8
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity165
SMILES
C1=CC2=C(C(=C1)O)N=C(C=C2)Cl
InChI
InChI=1S/C9H6ClNO/c10-8-5-4-6-2-1-3-7(12)9(6)11-8/h1-5,12H
InChIKey
HNUFDBQIXGQAEX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloroquinolin-8-ol
CAS: 31568-91-9
CID: 274878
Formula: C9H6ClNO
MW: 179.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.60
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass179.0137915
Monoisotopic Mass179.0137915
Topological Polar Surface Area33.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity165
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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