| CAS Number | 42880-07-9 |
| Catalog Number | AG003ESY(AGN-PC-0RQYXQ) |
| Chemical Name | 2-(3,4-Dimethoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine |
| IUPAC Name | 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine |
| InChI | InChI=1S/C15H11Cl6N3O2/c1-25-9-5-3-8(7-10(9)26-2)4-6-11-22-12(14(16,17)18)24-13(23-11)15(19,20)21/h3-7H,1-2H3/b6-4+ |
| InChI Key | ZJRNXDIVAGHETA-GQCTYLIASA-N |
| MDL Number | MFCD04038154 |
| Molecular Formula | C15H11Cl6N3O2 |
| Molecular Weight | 477.9847 |
| SMILES | ClC(C1=NC(/C=C/C2=CC=C(OC)C(OC)=C2)=NC(C(Cl)(Cl)Cl)=N1)(Cl)Cl |
| Synonyms | 2-(3,4-Dimethoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine,
42880-07-9,
SCHEMBL151090,
MFCD04038154,
ZINC44075910,
AKOS015851726,
ACM42880079,
TR-016708,
2- -4,6-bis -1,3,5-triazine,
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| Complexity | 463 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 476.895g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 477.972g/mol |
| Monoisotopic Mass | 474.898g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319
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Packing Group
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Precautionary statements
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P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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UN Code
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Certificate of Analysis
Lot Number