2-Chloro-6-(methylsulfonamido)benzoic Acid - CAS 1314406-45-5
Catalog: |
BB007331 |
Product Name: |
2-Chloro-6-(methylsulfonamido)benzoic Acid |
CAS: |
1314406-45-5 |
Synonyms: |
2-chloro-6-(methanesulfonamido)benzoic acid; 2-chloro-6-(methanesulfonamido)benzoic acid |
IUPAC Name: | 2-chloro-6-(methanesulfonamido)benzoic acid |
Description: | 2-Chloro-6-(methylsulfonamido)benzoic Acid (CAS# 1314406-45-5 ) is a useful research chemical. |
Molecular Weight: | 249.67 |
Molecular Formula: | C8H8ClNO4S |
Canonical SMILES: | CS(=O)(=O)NC1=C(C(=CC=C1)Cl)C(=O)O |
InChI: | InChI=1S/C8H8ClNO4S/c1-15(13,14)10-6-4-2-3-5(9)7(6)8(11)12/h2-4,10H,1H3,(H,11,12) |
InChI Key: | OUNMXLSKIJRUNZ-UHFFFAOYSA-N |
LogP: | 2.56350 |
Complexity: | 337 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.9862566 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.9862566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 91.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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