4-bromo-7-fluoroisoquinoline

4-bromo-7-fluoroisoquinoline

CAS: 1416500-77-0

Formula: C9H5BrFN

SMILES: FC1=CC2=CN=CC(Br)=C2C=C1

IUPAC: 4-bromo-7-fluoroisoquinoline

InChI: InChI=1S/C9H5BrFN/c10-9-5-12-4-6-3-7(11)1-2-8(6)9/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	DXANYJSMNHLBAV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.19
Topological Polar Surface Area	12.89
Polarizability	19.37
Ring Count	2
Rotatable Bond Count	0

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