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5-bromo-2-phenylquinoline-4-carboxylic acid

5-bromo-2-phenylquinoline-4-carboxylic acid

CAS: 924251-12-7

Formula: C16H10BrNO2

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

IUPAC: 5-bromo-2-phenylquinoline-4-carboxylic acid

InChI: InChI=1S/C16H10BrNO2/c17-12-7-4-8-13-15(12)11(16(19)20)9-14(18-13)10-5-2-1-3-6-10/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 NQQATLYCQLWJQH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.62
Topological Polar Surface Area 50.19
Polarizability 32.88
Ring Count 3
Rotatable Bond Count 2

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