≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COC1=C(C=C(C=C1)NC(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl)OC |
|---|---|
| IUPAC Name | 1-[(2,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)urea |
| InChIKey | NQYYJNCWFYPUNU-UHFFFAOYSA-N |
| INCHI | 1S/C16H15Cl2N3O4/c1-24-13-6-4-10(8-14(13)25-2)19-16(23)21-20-15(22)11-5-3-9(17)7-12(11)18/h3-8H,1-2H3,(H,20,22)(H2,19,21,23) |
| Isomeric SMILES | COC1=C(C=C(C=C1)NC(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl)OC |
| PubChem CID | 1478135 |
| Molecular Weight | 384.22 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | N-phenylureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-phenylureas |
| Alternative Parents | 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Dimethoxybenzenes Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Dichlorobenzenes Alkyl aryl ethers Aryl chlorides Vinylogous halides Semicarbazides Organic carbonic acids and derivatives Carboxylic acid hydrazides Carbonyl compounds Organic oxides Organochlorides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | N-phenylurea - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Methoxyaniline - Benzoic acid or derivatives - 1,3-dichlorobenzene - Benzoyl - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Semicarbazide - Vinylogous halide - Carboxylic acid hydrazide - Carbonic acid derivative - Ether - Carboxylic acid derivative - Organochloride - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group. |
| External Descriptors | Not available |
| Molecular Weight | 384.200 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 383.044 Da |
| Monoisotopic Mass | 383.044 Da |
| Topological Polar Surface Area | 88.700 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 469.000 |
| 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 |
