| CAS Number | 69218-28-6 |
| Catalog Number | AG01EWZB(AGN-PC-0L07F6) |
| Chemical Name | 2-Hexyl-2H-1,2,3-benzotriazole |
| IUPAC Name | 2-hexylbenzotriazole |
| InChI | InChI=1S/C12H17N3/c1-2-3-4-7-10-15-13-11-8-5-6-9-12(11)14-15/h5-6,8-9H,2-4,7,10H2,1H3 |
| InChI Key | NJIGIMNMVICQGF-UHFFFAOYSA-N |
| MDL Number | MFCD00963604 |
| Molecular Formula | C12H17N3 |
| Molecular Weight | 203.2835 |
| SMILES | C12C=CC=CC1=NN(CCCCCC)N=2 |
| Synonyms | 2-Hexyl-2H-benzotriazole,
69218-28-6,
2-Hexyl-2H-1,2,3-benzotriazole,
2-hexylbenzotriazole,
AC1MXWY9,
CHEMBL4093129,
SCHEMBL17528648,
ZINC5308762,
CID3797398,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.289g/mol |
| Monoisotopic Mass | 203.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number