6-bromo-2-(3-ethoxyphenyl)quinoline-4-carboxylic acid

6-bromo-2-(3-ethoxyphenyl)quinoline-4-carboxylic acid

CAS: 350999-95-0

Formula: C18H14BrNO3

SMILES: CCOC1=CC=CC(=C1)C1=NC2=CC=C(Br)C=C2C(=C1)C(O)=O

IUPAC: 6-bromo-2-(3-ethoxyphenyl)quinoline-4-carboxylic acid

InChI: InChI=1S/C18H14BrNO3/c1-2-23-13-5-3-4-11(8-13)17-10-15(18(21)22)14-9-12(19)6-7-16(14)20-17/h3-10H,2H2,1H3,(H,21,22)

Composition: C (58.08%), H (3.79%), Br (21.47%), N (3.76%), O (12.89%)

Molar Mass: 372.218

Atom Count: 37

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	371.015706
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VNGWIIJCZIVDNZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.83
Topological Polar Surface Area	59.42
Polarizability	37.24
Ring Count	3
Rotatable Bond Count	4

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