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8-Quinolinol,5-fluoro-(CAS No. 387-97-3)

8-Quinolinol,5-fluoro- C9H6FNO (cas 387-97-3) Molecular Structure

387-97-3 Structure

Identification and Related Records

【Name】
8-Quinolinol,5-fluoro-
【Iupac name】
5-fluoroquinolin-8-ol
【CAS Registry number】
387-97-3
【Synonyms】
5-Fluoro-8-hydroxyquinoline
5-Fluoro-8-quinolinol
5-Fluorooxine
NSC 74944
NSC 74945
【EINECS(EC#)】
223-418-7
【Molecular Formula】
C9H6FNO (Products with the same molecular formula)
【Molecular Weight】
163.15
【Inchi】
InChI=1/C12H2F8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H
【Canonical SMILES】
C1=CC2=C(C=CC(=C2N=C1)O)F
【MOL File】
387-97-3.mol

Chemical and Physical Properties

【Density】
1.582g/cm3
【Melting Point】
110 °C
【Boiling Point】
222.4°Cat760mmHg
【Refractive Index】
1.451
【Flash Point】
73.9°C
【Computed Properties】
Molecular Weight:163.148443 [g/mol]
Molecular Formula:C9H6FNO
XLogP3:2.4
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:163.043342
MonoIsotopic Mass:163.043342
Topological Polar Surface Area:33.1
Heavy Atom Count:12
Formal Charge:0
Complexity:165
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
26-36
【Hazard Note】
Irritant
【Safety】
Hazard Codes XiRisk Statements 36/37/38Safety Statements 26-36Hazard Note Irritant

Supplier Location

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Diamond member Shanghai Do Chemical Co.,Ltd
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Business Type:Manufacturer
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