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ethyl 6-bromo-4-chloroquinoline-3-carboxylate

ethyl 6-bromo-4-chloroquinoline-3-carboxylate

CAS: 206257-39-8

Formula: C12H9BrClNO2

SMILES: CCOC(=O)C1=C(Cl)C2=CC(Br)=CC=C2N=C1

IUPAC: ethyl 6-bromo-4-chloroquinoline-3-carboxylate

InChI: InChI=1S/C12H9BrClNO2/c1-2-17-12(16)9-6-15-10-4-3-7(13)5-8(10)11(9)14/h3-6H,2H2,1H3

Composition: C (45.82%), H (2.88%), Br (25.40%), Cl (11.27%), N (4.45%), O (10.17%)

Molar Mass: 314.56

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 312.950519
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YGMLKBFPHVLHGT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.18
Topological Polar Surface Area 39.19
Polarizability 27.9
Ring Count 2
Rotatable Bond Count 3

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95% <5 Days 206257-39-8 $132.41-$1,098.33$132.41$296.34$472.88$1,098.33
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97% <2 Days 206257-39-8 $286.35-$1,828.50$286.35$457.70$1,828.50
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