4-Fluoro-isoquinoline sulfuric acid salt


Chemical Name: 4-Fluoro-isoquinoline sulfuric acid salt
CAS Number: 906820-09-5
Product Number: AG00GUIH(AGN-PC-0WAAFP)
Synonyms:
MDL No:
Molecular Formula: C9H8FNO4S
Molecular Weight: 245.2275

Identification/Properties


Computed Properties
Molecular Weight:
245.224g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
0
Exact Mass:
245.016g/mol
Monoisotopic Mass:
245.016g/mol
Topological Polar Surface Area:
95.9A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
219
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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