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8-bromoquinoline-2,4-dicarboxylic acid

8-bromoquinoline-2,4-dicarboxylic acid

Formula: C11H6BrNO4

SMILES: OC(=O)C1=CC(C(O)=O)=C2C=CC=C(Br)C2=N1

IUPAC: 8-bromoquinoline-2,4-dicarboxylic acid

InChI: InChI=1S/C11H6BrNO4/c12-7-3-1-2-5-6(10(14)15)4-8(11(16)17)13-9(5)7/h1-4H,(H,14,15)(H,16,17)

Composition: C (44.62%), H (2.04%), Br (26.99%), N (4.73%), O (21.61%)

Molar Mass: 296.076

Atom Count: 23

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 294.948021
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey CVVIPWRSINNKPF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.74
Topological Polar Surface Area 87.49
Polarizability 24.55
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime Formula UnitPrice
98% <10 Days C11H6BrNO4 Quote Only