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8-Chloro-4-hydroxyquinoline

CAT: 0127-OR307840Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR307840Size:1 g
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CAS Number
57797-97-4
MDL Number
MFCD00272388
Purity
=95%
Smiles
Oc1ccnc2c(Cl)cccc12

Chemical Information

8-Chloro-4-hydroxyquinoline
CAS Number57797-97-4
PubChem CID265885
IUPAC Name8-chloro-1H-quinolin-4-one
Molecular FormulaC9H6ClNO
Molecular Weight179.60
XLogP2.2
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity227
SMILES
C1=CC2=C(C(=C1)Cl)NC=CC2=O
InChI
InChI=1S/C9H6ClNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-5H,(H,11,12)
InChIKey
SUZPLFOSYVTCLE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Chloro-4-hydroxyquinoline
CAS: 57797-97-4
CID: 265885
Formula: C9H6ClNO
MW: 179.60
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight179.60
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass179.0137915
Monoisotopic Mass179.0137915
Topological Polar Surface Area29.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity227
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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