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Home > Pyridines > 1249095-91-7
1249095-91-7 | 1-(PYRIDIN-4-YL)ETHANE-1-SULFONYL CHLORIDE
CAS No: 1249095-91-7 Catalog No: AG01B2ZC MDL No:MFCD16671797
Product Description
Catalog Number:
AG01B2ZC
Chemical Name:
1-(PYRIDIN-4-YL)ETHANE-1-SULFONYL CHLORIDE
CAS Number:
1249095-91-7
Molecular Formula:
C7H8ClNO2S
Molecular Weight:
205.6619
MDL Number:
MFCD16671797
IUPAC Name:
1-pyridin-4-ylethanesulfonyl chloride
InChI:
InChI=1S/C7H8ClNO2S/c1-6(12(8,10)11)7-2-4-9-5-3-7/h2-6H,1H3
InChI Key:
XNAKKFXDWCROPF-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)Cl)c1ccncc1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.996g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.656g/mol
Monoisotopic Mass:
204.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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