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8-chloro-2-(2-ethoxyphenyl)quinoline-4-carboxylic acid

8-chloro-2-(2-ethoxyphenyl)quinoline-4-carboxylic acid

CAS: 862663-06-7

Formula: C18H14ClNO3

SMILES: CCOC1=C(C=CC=C1)C1=CC(C(O)=O)=C2C=CC=C(Cl)C2=N1

IUPAC: 8-chloro-2-(2-ethoxyphenyl)quinoline-4-carboxylic acid

InChI: InChI=1S/C18H14ClNO3/c1-2-23-16-9-4-3-6-12(16)15-10-13(18(21)22)11-7-5-8-14(19)17(11)20-15/h3-10H,2H2,1H3,(H,21,22)

Composition: C (65.96%), H (4.31%), Cl (10.82%), N (4.27%), O (14.64%)

Molar Mass: 327.76

Atom Count: 37

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 327.066221
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey IBYXFRLOEDOQTJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.02
Topological Polar Surface Area 59.42
Polarizability 36.48
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 862663-06-7 $101.60$101.60
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