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7-Chloro-8-quinolinol

CAT: 0572-TRC-C379870-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C379870-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
876-86-8
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
Oc1c(Cl)ccc2cccnc12
Molecular Formula
C9 H6 Cl N O
Molecular Weight
179.6
InChI
InChI=1S/C9H6ClNO/c10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-5,12H
Additionnal Information
IUPAC name: 7-chloroquinolin-8-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

7-Chloro-8-hydroxyquinoline
CAS Number876-86-8
PubChem CID24691
IUPAC Name7-chloroquinolin-8-ol
Molecular FormulaC9H6ClNO
Molecular Weight179.60
XLogP2.5
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=C2)Cl)O)N=C1
InChI
InChI=1S/C9H6ClNO/c10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-5,12H
InChIKey
RMJFNYXBFISIET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Chloro-8-hydroxyquinoline
CAS: 876-86-8
CID: 24691
Formula: C9H6ClNO
MW: 179.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.60
XLogP32.5
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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