7-bromo-2-phenylquinoline-4-carboxylic acid

7-bromo-2-phenylquinoline-4-carboxylic acid

CAS: 303100-39-2

Formula: C16H10BrNO2

SMILES: OC(=O)C1=CC(=NC2=CC(Br)=CC=C12)C1=CC=CC=C1

IUPAC: 7-bromo-2-phenylquinoline-4-carboxylic acid

InChI: InChI=1S/C16H10BrNO2/c17-11-6-7-12-13(16(19)20)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9H,(H,19,20)

Composition: C (58.56%), H (3.07%), Br (24.35%), N (4.27%), O (9.75%)

Molar Mass: 328.165

Atom Count: 30

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	326.989492
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GXTQJUJLORLFDN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.62
Topological Polar Surface Area	50.19
Polarizability	32.87
Ring Count	3
Rotatable Bond Count	2

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