≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice 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 | CC1=C(C=C(C=C1)NC(=O)OC2=CC3=CC=CC=C3C=C2)NC(=O)OC4=CC5=CC=CC=C5C=C4 |
|---|---|
| InChIKey | OEEZVYKWUHWERE-UHFFFAOYSA-N |
| INCHI | 1S/C29H22N2O4/c1-19-10-13-24(30-28(32)34-25-14-11-20-6-2-4-8-22(20)16-25)18-27(19)31-29(33)35-26-15-12-21-7-3-5-9-23(21)17-26/h2-18H,1H3,(H,30,32)(H,31,33) |
| Isomeric SMILES | CC1=C(C=C(C=C1)NC(=O)OC2=CC3=CC=CC=C3C=C2)NC(=O)OC4=CC5=CC=CC=C5C=C4 |
| Molecular Weight | 462.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylcarbamic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylcarbamic acid esters |
| Alternative Parents | Naphthalenes Diaminotoluenes Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Phenylcarbamic acid ester - Naphthalene - Diaminotoluene - Toluene - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids. |
| External Descriptors | Not available |
| Molecular Weight | 462.500 g/mol |
|---|---|
| XLogP3 | 7.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 462.158 Da |
| Monoisotopic Mass | 462.158 Da |
| Topological Polar Surface Area | 76.700 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 729.000 |
| 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 |
