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7-chloro-8-methyl-2-(3-propoxyphenyl)quinoline-4-carboxylic acid

7-chloro-8-methyl-2-(3-propoxyphenyl)quinoline-4-carboxylic acid

CAS: 863185-11-9

Formula: C20H18ClNO3

SMILES: CCCOC1=CC=CC(=C1)C1=CC(C(O)=O)=C2C=CC(Cl)=C(C)C2=N1

IUPAC: 7-chloro-8-methyl-2-(3-propoxyphenyl)quinoline-4-carboxylic acid

InChI: InChI=1S/C20H18ClNO3/c1-3-9-25-14-6-4-5-13(10-14)18-11-16(20(23)24)15-7-8-17(21)12(2)19(15)22-18/h4-8,10-11H,3,9H2,1-2H3,(H,23,24)

Composition: C (67.51%), H (5.10%), Cl (9.96%), N (3.94%), O (13.49%)

Molar Mass: 355.82

Atom Count: 43

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 355.0975211
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ONSZRARBCBDEBU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 97.58
Topological Polar Surface Area 59.42
Polarizability 40.07
Ring Count 3
Rotatable Bond Count 5

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95% <2 Days 863185-11-9 $81.28$81.28
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