Home Sulfos 4-chloro-3-methanesulfonamidobenzoic acid

4-chloro-3-methanesulfonamidobenzoic acid

CAS No.:
94101-69-6
Catalog Number:
AG01A7WQ
Molecular Formula:
C8H8ClNO4S
Molecular Weight:
249.6714
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Product Description
Catalog Number:
AG01A7WQ
Chemical Name:
4-chloro-3-methanesulfonamidobenzoic acid
CAS Number:
94101-69-6
Molecular Formula:
C8H8ClNO4S
Molecular Weight:
249.6714
MDL Number:
MFCD09808307
IUPAC Name:
4-chloro-3-(methanesulfonamido)benzoic acid
InChI:
InChI=1S/C8H8ClNO4S/c1-15(13,14)10-7-4-5(8(11)12)2-3-6(7)9/h2-4,10H,1H3,(H,11,12)
InChI Key:
SPCBMHGUHKLVLV-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1NS(=O)(=O)C)C(=O)O
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.986g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.665g/mol
Monoisotopic Mass:
248.986g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties