sulfamoyl}benzoic acid - ≥95% , CAS No.929974-81-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)
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3-{[(4-Chlorophenyl)methyl](2-ethoxyphenyl)sulfamoyl}benzoic acid - ≥95% , CAS No.929974-81-2
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GRADE & PURITY ≥95%
Storage
Room temperature
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Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Specifications & Purity
≥95%
Storage
Room temperature
Purity
≥95%
Names and Identifiers
| Canonical Smiles | CCOC1=CC=CC=C1N(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)C(=O)O |
|---|---|
| IUPAC Name | 3-[(4-chlorophenyl)methyl-(2-ethoxyphenyl)sulfamoyl]benzoic acid |
| InChIKey | XBXRSIOIXLTJKQ-UHFFFAOYSA-N |
| INCHI | 1S/C22H20ClNO5S/c1-2-29-21-9-4-3-8-20(21)24(15-16-10-12-18(23)13-11-16)30(27,28)19-7-5-6-17(14-19)22(25)26/h3-14H,2,15H2,1H3,(H,25,26) |
| Molecular Weight | 445.900 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 445.900 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 445.075 Da |
| Monoisotopic Mass | 445.075 Da |
| Topological Polar Surface Area | 92.300 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 659.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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