4-fluoroisoquinoline; sulfuric acid

4-fluoroisoquinoline; sulfuric acid

CAS: 906820-09-5

Formula: C9H8FNO4S

SMILES: OS(O)(=O)=O.FC1=CN=CC2=CC=CC=C12

IUPAC: 4-fluoroisoquinoline; sulfuric acid

InChI: InChI=1S/C9H6FN.H2O4S/c10-9-6-11-5-7-3-1-2-4-8(7)9;1-5(2,3)4/h1-6H;(H2,1,2,3,4)

Composition: C (44.08%), H (3.29%), F (7.75%), N (5.71%), O (26.10%), S (13.07%)

Molar Mass: 245.22

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	245.015807079
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	UIWPLWVBONXKIT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.57
Topological Polar Surface Area	12.89
Polarizability	16.6
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	906820-09-5		$46.66$46.66