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4-Hydroxy-6,7-dichloroquinoline

CAT: 0926-DIA62651-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-DIA62651-01Size:100 mg
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CAS Number
203626-51-1
MDL Number
MFCD00272452
Smiles
C1=CNC2=CC (=C (C=C2C1=O) Cl) Cl
Molecular Formula
C9H5Cl2NO
Molecular Weight
214.04 g/mol
Controlled
No

Chemical Information

4-Hydroxy-6,7-dichloroquinoline
CAS Number203626-51-1
PubChem CID17039959
IUPAC Name6,7-dichloro-1H-quinolin-4-one
Molecular FormulaC9H5Cl2NO
Molecular Weight214.04
XLogP1.8
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity254
SMILES
C1=CNC2=CC(=C(C=C2C1=O)Cl)Cl
InChI
InChI=1S/C9H5Cl2NO/c10-6-3-5-8(4-7(6)11)12-2-1-9(5)13/h1-4H,(H,12,13)
InChIKey
OIBDGJOVXZXMSP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-6,7-dichloroquinoline
CAS: 203626-51-1
CID: 17039959
Formula: C9H5Cl2NO
MW: 214.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.04
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass212.9748192
Monoisotopic Mass212.9748192
Topological Polar Surface Area29.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity254
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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