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1310456-99-5 | 3-ethynylbenzenesulfonamide
CAS No: 1310456-99-5 Catalog No: AG009HRZ MDL No:
Product Description
Catalog Number:
AG009HRZ
Chemical Name:
3-ethynylbenzenesulfonamide
CAS Number:
1310456-99-5
IUPAC Name:
3-ethynylbenzenesulfonamide
InChI:
InChI=1S/C8H7NO2S/c1-2-7-4-3-5-8(6-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
InChI Key:
WGEWFHNQCHZZMF-UHFFFAOYSA-N
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Stereo- and regioselective azide/alkyne cycloadditions in carbonic anhydrase II via tethering, monitored by crystallography and mass spectrometry. | Chemistry (Weinheim an der Bergstrasse, Germany) 20110516 |
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