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8-bromo-5-fluoroisoquinolin-3-amine

8-bromo-5-fluoroisoquinolin-3-amine

Formula: C9H6BrFN2

SMILES: NC1=NC=C2C(Br)=CC=C(F)C2=C1

IUPAC: 8-bromo-5-fluoroisoquinolin-3-amine

InChI: InChI=1S/C9H6BrFN2/c10-7-1-2-8(11)5-3-9(12)13-4-6(5)7/h1-4H,(H2,12,13)

Composition: C (44.84%), H (2.51%), Br (33.15%), F (7.88%), N (11.62%)

Molar Mass: 241.063

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 239.969839
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HUXWXPVYQOOSCC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.2
Topological Polar Surface Area 38.91
Polarizability 20.54
Ring Count 2
Rotatable Bond Count 0

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C9H6BrFN2 $1,220.00-$1,800.00$1,220.00$1,420.00$1,800.00
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