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6-bromo-2-(4-isopropylphenyl)quinoline-4-carboxylic acid

6-bromo-2-(4-isopropylphenyl)quinoline-4-carboxylic acid

CAS: 438531-43-2

Formula: C19H16BrNO2

SMILES: CC(C)C1=CC=C(C=C1)C1=NC2=CC=C(Br)C=C2C(=C1)C(O)=O

IUPAC: 6-bromo-2-[4-(propan-2-yl)phenyl]quinoline-4-carboxylic acid

InChI: InChI=1S/C19H16BrNO2/c1-11(2)12-3-5-13(6-4-12)18-10-16(19(22)23)15-9-14(20)7-8-17(15)21-18/h3-11H,1-2H3,(H,22,23)

Composition: C (61.64%), H (4.36%), Br (21.58%), N (3.78%), O (8.64%)

Molar Mass: 370.246

Atom Count: 39

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 369.036442
Formal Charge 0
FSP3 0.16
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FAFVYBXTAZBAII-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 93.81
Topological Polar Surface Area 50.19
Polarizability 38.31
Ring Count 3
Rotatable Bond Count 3

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