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

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

CAS: 351329-64-1

Formula: C17H12BrNO3

SMILES: COC1=CC=CC(=C1)C1=CC(C(O)=O)=C2C=C(Br)C=CC2=N1

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

InChI: InChI=1S/C17H12BrNO3/c1-22-12-4-2-3-10(7-12)16-9-14(17(20)21)13-8-11(18)5-6-15(13)19-16/h2-9H,1H3,(H,20,21)

Composition: C (57.01%), H (3.38%), Br (22.31%), N (3.91%), O (13.40%)

Molar Mass: 358.191

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	357.000056
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OSGMFZLPSOECIH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.09
Topological Polar Surface Area	59.42
Polarizability	35.4
Ring Count	3
Rotatable Bond Count	3

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