Home Sulfos 2-(pyridin-3-ylmethanesulfonyl)acetic acid hydrochloride

2-(pyridin-3-ylmethanesulfonyl)acetic acid hydrochloride

CAS No.:
1171542-78-1
Catalog Number:
AG019N7A
Molecular Formula:
C8H10ClNO4S
Molecular Weight:
251.6873
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Product Description
Catalog Number:
AG019N7A
Chemical Name:
2-(pyridin-3-ylmethanesulfonyl)acetic acid hydrochloride
CAS Number:
1171542-78-1
Molecular Formula:
C8H10ClNO4S
Molecular Weight:
251.6873
IUPAC Name:
2-(pyridin-3-ylmethylsulfonyl)acetic acid;hydrochloride
InChI:
InChI=1S/C8H9NO4S.ClH/c10-8(11)6-14(12,13)5-7-2-1-3-9-4-7;/h1-4H,5-6H2,(H,10,11);1H
InChI Key:
JZPMQTCSVSOWJT-UHFFFAOYSA-N
SMILES:
OC(=O)CS(=O)(=O)Cc1cccnc1.Cl
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.002g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.681g/mol
Monoisotopic Mass:
251.002g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties