2-Methyl-3-(methylsulfonyl)benzoic Acid - CAS 1186663-49-9
Catalog: |
BB004215 |
Product Name: |
2-Methyl-3-(methylsulfonyl)benzoic Acid |
CAS: |
1186663-49-9 |
Synonyms: |
2-methyl-3-methylsulfonylbenzoic acid; 2-methyl-3-methylsulfonylbenzoic acid |
IUPAC Name: | 2-methyl-3-methylsulfonylbenzoic acid |
Description: | 2-Methyl-3-(methylsulfonyl)benzoic Acid (CAS# 1186663-49-9) is used as a reactant in the preparation of N-tetrazolyl and N-triazolyl arylcarboxamides as herbicides. |
Molecular Weight: | 214.24 |
Molecular Formula: | C9H10O4S |
Canonical SMILES: | CC1=C(C=CC=C1S(=O)(=O)C)C(=O)O |
InChI: | InChI=1S/C9H10O4S/c1-6-7(9(10)11)4-3-5-8(6)14(2,12)13/h3-5H,1-2H3,(H,10,11) |
InChI Key: | WMALKKDIJHZYRM-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.17750 |
Publication Number | Title | Priority Date |
AU-2011298424-A1 | N-(Tetrazol-5-yl)- and N-(Triazol-5-yl)arylcarboxamides and use thereof as herbicides | 20100901 |
AU-2011298424-B2 | N-(Tetrazol-5-yl)- and N-(Triazol-5-yl)arylcarboxamides and use thereof as herbicides | 20100901 |
BR-112013005070-B1 | N- (TETRAZOL-5-IL) - AND N- (TRIAZOL-5-IL) ARYLARBOXAMIDES COMPOSITIONS, HERBICIDE COMPOSITION, ITS USES AS HERBICIDES AND METHOD TO CONTROL UNDESIRED PLANTS | 20100901 |
CA-2809487-A1 | N-(tetrazol-5-yl)- and n-(triazol-5-yl)arylcarboxamides and use thereof as herbicides | 20100901 |
CA-2809487-C | N-(tetrazol-5-yl)- and n-(triazol-5-yl)arylcarboxamides and use thereof as herbicides | 20100901 |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.02997997 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.02997997 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 79.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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