quinolin-8-yl chlor...

quinolin-8-yl chloroacetate(CAS No. 5568-49-0)

quinolin-8-yl chloroacetate(CAS No. 5568-49-0)

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  • Purity: 99%
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quinolin-8-yl 2-chloroacetate 5568-49-0 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
quinolin-8-yl chloroacetate
【Iupac name】
quinolin-8-yl 2-chloroacetate
【CAS Registry number】
5568-49-0
【Synonyms】
NSC403350
quinolin-8-yl 2-chloroacetate
AC1L836Q
NUCFGSRTIHFHHP-UHFFFAOYSA-N
NSC-403350
6A09A654A2F7E266C69021474B29DBC5
5568-49-0
【Molecular Formula】
C11H8ClNO2 (Products with the same molecular formula)
【Molecular Weight】
221.6397
【Inchi】
InChI=1/C11H8ClNO2/c12-7-10(14)15-9-5-1-3-8-4-2-6-13-11(8)9/h1-6H,7H2
【Canonical SMILES】
C1=CC2=C(C(=C1)OC(=O)CCl)N=CC=C2
【MOL File】
5568-49-0.mol
Chemical and Physical Properties
【Density】
1.336g/cm3
【Boiling Point】
357.4°C at 760 mmHg
【Refractive Index】
1.621
【Flash Point】
169.9°C
【Computed Properties】
Molecular Weight:221.63972 [g/mol]
Molecular Formula:C11H8ClNO2
XLogP3:2.7
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:3
Exact Mass:221.024356
MonoIsotopic Mass:221.024356
Topological Polar Surface Area:39.2
Heavy Atom Count:15
Formal Charge:0
Complexity:235
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:2
Feature 3D Ring Count:2
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:41

 

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