8-bromo-7-fluoroisoquinoline

8-bromo-7-fluoroisoquinoline

CAS: 1445891-57-5

Formula: C9H5BrFN

SMILES: FC1=C(Br)C2=CN=CC=C2C=C1

IUPAC: 8-bromo-7-fluoroisoquinoline

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