1,3-dichloro-7-fluoroisoquinoline

1,3-dichloro-7-fluoroisoquinoline

CAS: 941294-25-3

Formula: C9H4Cl2FN

SMILES: FC1=CC2=C(Cl)N=C(Cl)C=C2C=C1

IUPAC: 1,3-dichloro-7-fluoroisoquinoline

InChI: InChI=1S/C9H4Cl2FN/c10-8-3-5-1-2-6(12)4-7(5)9(11)13-8/h1-4H

Composition: C (50.04%), H (1.87%), Cl (32.82%), F (8.79%), N (6.48%)

Molar Mass: 216.04

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	214.9704827
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RPCBWABYLPCEQX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.3
Topological Polar Surface Area	12.89
Polarizability	20.48
Ring Count	2
Rotatable Bond Count	0

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