2,6-Dichloro-4-methanesulfonylbenzoic Acid - CAS 1121585-09-8
Catalog: |
BB062879 |
Product Name: |
2,6-Dichloro-4-methanesulfonylbenzoic Acid |
CAS: |
1121585-09-8 |
Synonyms: |
2,6-dichloro-4-methanesulfonylbenzoic acid; 2,6-dichloro-4-methylsulfonylbenzoic acid; 2,6-DICHLORO-4-(METHYLSULFONYL)BENZOIC ACID; 2,6-DICHLORO-4-(METHYLSULFONYL)BENZOICACID |
IUPAC Name: | 2,6-dichloro-4-methylsulfonylbenzoic acid |
Description: | 2,6-Dichloro-4-methanesulfonylbenzoic Acid is a useful organic reagent. |
Molecular Weight: | 269.1 |
Molecular Formula: | C8H6O4SCl2 |
Canonical SMILES: | CS(=O)(=O)C1=CC(=C(C(=C1)Cl)C(=O)O)Cl |
InChI: | InChI=1S/C8H6Cl2O4S/c1-15(13,14)4-2-5(9)7(8(11)12)6(10)3-4/h2-3H,1H3,(H,11,12) |
InChI Key: | NHCGKUSJQYWQCS-UHFFFAOYSA-N |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.9363852 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.9363852 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 79.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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