Home Sulfos 3-(2-chloropyridine-3-sulfonamido)butanoic acid

3-(2-chloropyridine-3-sulfonamido)butanoic acid

CAS No.:
1156804-12-4
Catalog Number:
AG01AGUN
Molecular Formula:
C9H11ClN2O4S
Molecular Weight:
278.7126
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Product Description
Catalog Number:
AG01AGUN
Chemical Name:
3-(2-chloropyridine-3-sulfonamido)butanoic acid
CAS Number:
1156804-12-4
Molecular Formula:
C9H11ClN2O4S
Molecular Weight:
278.7126
MDL Number:
MFCD12644238
IUPAC Name:
3-[(2-chloropyridin-3-yl)sulfonylamino]butanoic acid
InChI:
InChI=1S/C9H11ClN2O4S/c1-6(5-8(13)14)12-17(15,16)7-3-2-4-11-9(7)10/h2-4,6,12H,5H2,1H3,(H,13,14)
InChI Key:
MLRPCICMAJJEJF-UHFFFAOYSA-N
SMILES:
CC(NS(=O)(=O)c1cccnc1Cl)CC(=O)O
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.013g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
278.707g/mol
Monoisotopic Mass:
278.013g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties