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6-bromoisoquinoline-3-carboxylic acid

6-bromoisoquinoline-3-carboxylic acid

CAS: 1416713-22-8

Formula: C10H6BrNO2

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

IUPAC: 6-bromoisoquinoline-3-carboxylic acid

InChI: InChI=1S/C10H6BrNO2/c11-8-2-1-6-5-12-9(10(13)14)4-7(6)3-8/h1-5H,(H,13,14)

Composition: C (47.65%), H (2.40%), Br (31.70%), N (5.56%), O (12.69%)

Molar Mass: 252.067

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 250.958191
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WXVPUINLXIXGEP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.86
Topological Polar Surface Area 50.19
Polarizability 22.05
Ring Count 2
Rotatable Bond Count 1

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97% <7 Days 1416713-22-8 $143.99-$1,125.74$143.99$184.20$289.85$366.52$1,125.74
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96% <2 Days 1416713-22-8 $125.35-$1,370.80$125.35$143.75$171.35$227.70$342.70$1,370.80
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