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Home > Pyridines > 1306605-21-9
1306605-21-9 | 1-(pyridin-3-yl)-1H-pyrazole-4-sulfonyl chloride
CAS No: 1306605-21-9 Catalog No: AG01AHYD MDL No:MFCD18838750
Product Description
Catalog Number:
AG01AHYD
Chemical Name:
1-(pyridin-3-yl)-1H-pyrazole-4-sulfonyl chloride
CAS Number:
1306605-21-9
Molecular Formula:
C8H6ClN3O2S
Molecular Weight:
243.6701
MDL Number:
MFCD18838750
IUPAC Name:
1-pyridin-3-ylpyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C8H6ClN3O2S/c9-15(13,14)8-5-11-12(6-8)7-2-1-3-10-4-7/h1-6H
InChI Key:
ICBUIOOHVYCOLP-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1cnn(c1)c1cccnc1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.987g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.665g/mol
Monoisotopic Mass:
242.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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