3-Chloro-6-fluoroisoquinoline


Chemical Name: 3-Chloro-6-fluoroisoquinoline
CAS Number: 1041423-28-2
Product Number: AG00HAAF(AGN-PC-0WAMEQ)
Synonyms:
MDL No: MFCD18837816
Molecular Formula: C9H5ClFN
Molecular Weight: 181.5941

Identification/Properties


Computed Properties
Molecular Weight:
181.594g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
181.009g/mol
Monoisotopic Mass:
181.009g/mol
Topological Polar Surface Area:
12.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
165
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:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H317
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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