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8-bromo-2-chloroquinoline-4-carboxylic acid

8-bromo-2-chloroquinoline-4-carboxylic acid

CAS: 902743-27-5

Formula: C10H5BrClNO2

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

IUPAC: 8-bromo-2-chloroquinoline-4-carboxylic acid

InChI: InChI=1S/C10H5BrClNO2/c11-7-3-1-2-5-6(10(14)15)4-8(12)13-9(5)7/h1-4H,(H,14,15)

Composition: C (41.92%), H (1.76%), Br (27.89%), Cl (12.37%), N (4.89%), O (11.17%)

Molar Mass: 286.51

Atom Count: 20

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 284.919219
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LAMSTKBOIPGCCC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.72
Topological Polar Surface Area 50.19
Polarizability 24.08
Ring Count 2
Rotatable Bond Count 1

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