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Home > Fluorides > 194032-33-2
194032-33-2 | 4-Fluoroisoquinoline-5-sulfonyl chloride
CAS No: 194032-33-2 Catalog No: AG00387E MDL No:MFCD19200505
Product Description
Catalog Number:
AG00387E
Chemical Name:
4-Fluoroisoquinoline-5-sulfonyl chloride
CAS Number:
194032-33-2
Molecular Formula:
C9H5ClFNO2S
Molecular Weight:
245.6579
MDL Number:
MFCD19200505
IUPAC Name:
4-fluoroisoquinoline-5-sulfonyl chloride
InChI:
InChI=1S/C9H5ClFNO2S/c10-15(13,14)8-3-1-2-6-4-12-5-7(11)9(6)8/h1-5H
InChI Key:
UZUCKWMDQGESLP-UHFFFAOYSA-N
SMILES:
Fc1cncc2c1c(ccc2)S(=O)(=O)Cl
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.652g/mol
Monoisotopic Mass:
244.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Three derivatives of 4-fluoro-5-sulfonylisoquinoline. | Acta crystallographica. Section C, Crystal structure communications 20121001 |
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