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7-Chloroquinolin-5-ol

CAT: 0127-OR1040906-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1040906-01Size:100 mg
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CAS Number
1236162-22-3
MDL Number
MFCD18413755
Purity
98%
Smiles
OC1=C2C=CC=NC2=CC(Cl)=C1

Chemical Information

7-Chloroquinolin-5-ol
CAS Number1236162-22-3
PubChem CID136239868
IUPAC Name7-chloroquinolin-5-ol
Molecular FormulaC9H6ClNO
Molecular Weight179.60
XLogP2.9
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=C(C=C2O)Cl)N=C1
InChI
InChI=1S/C9H6ClNO/c10-6-4-8-7(9(12)5-6)2-1-3-11-8/h1-5,12H
InChIKey
ZYSAHYWXWBPGRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Chloroquinolin-5-ol
CAS: 1236162-22-3
CID: 136239868
Formula: C9H6ClNO
MW: 179.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.60
XLogP32.9
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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