2-Chloro-4-(3-methylsulfonylphenyl)benzoic Acid - CAS 1261913-06-7
Catalog: |
BB069333 |
Product Name: |
2-Chloro-4-(3-methylsulfonylphenyl)benzoic Acid |
CAS: |
1261913-06-7 |
Synonyms: |
3-Chloro-3'-(methylsulfonyl)-[1,1'-biphenyl]-4-carboxylic Acid |
IUPAC Name: | 2-chloro-4-(3-methylsulfonylphenyl)benzoic acid |
Description: | 2-Chloro-4-(3-methylsulfonylphenyl)benzoic acid |
Molecular Weight: | 310.75 |
Molecular Formula: | C14H11ClO4S |
Canonical SMILES: | CS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)C(=O)O)Cl |
InChI: | InChI=1S/C14H11ClO4S/c1-20(18,19)11-4-2-3-9(7-11)10-5-6-12(14(16)17)13(15)8-10/h2-8H,1H3,(H,16,17) |
InChI Key: | IOCTYFOBLDXQDN-UHFFFAOYSA-N |
Complexity: | 456 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.0066577 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.0066577 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 79.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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