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5,7-Dichloro-4-hydroxyquinoline

CAT: 0572-TRC-D437240-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D437240-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
171850-29-6
Synonyms
5,7-Dichloro-4-quinolinol; 5,7-Dichloro-4-hydroxyquinoline
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
Oc1ccnc2cc(Cl)cc(Cl)c12
Molecular Formula
C9 H5 Cl2 N O
Molecular Weight
214.05
InChI
InChI=1S/C9H5Cl2NO/c10-5-3-6(11)9-7(4-5)12-2-1-8(9)13/h1-4H,(H,12,13)
Additionnal Information
IUPAC name: 5,7-dichloroquinolin-4-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4(1H)-Quinolinone, 5,7-dichloro-
CAS Number171850-29-6
PubChem CID2736001
IUPAC Name5,7-dichloro-1H-quinolin-4-one
Molecular FormulaC9H5Cl2NO
Molecular Weight214.04
XLogP2.8
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=C(C1=O)C(=CC(=C2)Cl)Cl
InChI
InChI=1S/C9H5Cl2NO/c10-5-3-6(11)9-7(4-5)12-2-1-8(9)13/h1-4H,(H,12,13)
InChIKey
GESHSYASHHORJB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4(1H)-Quinolinone, 5,7-dichloro-
CAS: 171850-29-6
CID: 2736001
Formula: C9H5Cl2NO
MW: 214.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.04
XLogP32.8
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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Alternative Products

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437255-015,7-Dichloro-4-hydroxyquinoline
FD34633-015,7-Dichloro-8-hydroxyquinoline
OR10760377,8-Dichloro-4-hydroxyquinoline
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OR3927Ethyl 5,7-dichloro-4-hydroxyquinoline-3-carboxylate
sc-2910155,7-Dichloro-4-hydroxyquinoline-3-carboxylic acid
OR1062281Ethyl 5,7-dichloro-4-hydroxyquinoline-2-carboxylate
GC5825-25mg5,7-Dichloro-8-hydroxyquinoline β-D-glucuronide
sc-291016A5,7-Dichloro-4-hydroxyquinoline-3-carboxylic acid ethyl ester
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