2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoic acid


Chemical Name: 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoic acid
CAS Number: 151104-21-1
Product Number: AG00ABYC(AGN-PC-0KCE8R)
Synonyms:
MDL No:
Molecular Formula: C11H12ClNO4S
Molecular Weight: 289.7353

Identification/Properties


Computed Properties
Molecular Weight:
289.73g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
289.018g/mol
Monoisotopic Mass:
289.018g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
413
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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