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3-bromo-5-fluoroquinoline

3-bromo-5-fluoroquinoline

CAS: 1416439-00-3

Formula: C9H5BrFN

SMILES: FC1=C2C=C(Br)C=NC2=CC=C1

IUPAC: 3-bromo-5-fluoroquinoline

InChI: InChI=1S/C9H5BrFN/c10-6-4-7-8(11)2-1-3-9(7)12-5-6/h1-5H

Composition: C (47.82%), H (2.23%), Br (35.35%), F (8.40%), N (6.20%)

Molar Mass: 226.048

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 224.95894
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey MPVCOZUPDLYPQM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.82
Topological Polar Surface Area 12.89
Polarizability 19.38
Ring Count 2
Rotatable Bond Count 0

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