| CAS Number | 1254062-41-3 |
| Catalog Number | AG009GMW(AGN-PC-0WNHCA) |
| Chemical Name | 4,7-Bis(5-bromo-2-thienyl)-2-n-octyl-2H-benzotriazole |
| IUPAC Name | 4,7-bis(5-bromothiophen-2-yl)-2-octylbenzotriazole |
| InChI | InChI=1S/C22H23Br2N3S2/c1-2-3-4-5-6-7-14-27-25-21-15(17-10-12-19(23)28-17)8-9-16(22(21)26-27)18-11-13-20(24)29-18/h8-13H,2-7,14H2,1H3 |
| InChI Key | KPXJKVVGOPZOPK-UHFFFAOYSA-N |
| MDL Number | MFCD27923045 |
| Molecular Formula | C22H23Br2N3S2 |
| Molecular Weight | 553.3761 |
| SMILES | CCCCCCCCN1N=C2C(=N1)C(=CC=C2C1=CC=C(Br)S1)C1=CC=C(Br)S1 |
| Synonyms | 1254062-39-9,
4,7-Bis(5-bromo-2-thienyl)-2-n-octyl-2H-benzotriazole,
4,7-Bis(5-bromothiophen-2-yl)-2-octyl-2H-benzo[d][1,2,3]triazole,
1254062-41-3,
DTXSID70857043,
MFCD27923045,
ZINC97972191,
AX8282305,
B4542,
2-Octyl-4,7-bis(5-bromo-2-thienyl)-2H-benzotriazole,
4,7-Bis(5-bromothiophen-2-yl)-2-octyl-2H-benzotriazole,
4,7-bis(5-bromothiophen-2-yl)-2-octylbenzotriazole,
|
| Complexity | 478 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 552.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 553.375g/mol |
| Monoisotopic Mass | 550.97g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 87.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 9.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number