| CAS Number | 112642-69-0 |
| Catalog Number | AG008Y19(AGN-PC-0L9Z2R) |
| Chemical Name | 2-Octyl-2H-benzotriazole |
| IUPAC Name | 2-octylbenzotriazole |
| InChI | InChI=1S/C14H21N3/c1-2-3-4-5-6-9-12-17-15-13-10-7-8-11-14(13)16-17/h7-8,10-11H,2-6,9,12H2,1H3 |
| InChI Key | WESNTVKWORZVQQ-UHFFFAOYSA-N |
| MDL Number | MFCD00963848 |
| Molecular Formula | C14H21N3 |
| Molecular Weight | 231.3366 |
| SMILES | CCCCCCCCN1N=C(C=CC=C2)C2=N1 |
| Synonyms | 2-Octyl-2H-benzo[d][1,2,3]triazole,
112642-69-0,
2-octylbenzotriazole,
2-n-Octylbenzotriazole,
2-Octyl-2H-benzotriazole,
AC1NA4WX,
SCHEMBL14799694,
DTXSID50402510,
WESNTVKWORZVQQ-UHFFFAOYSA-N,
KS-000017XX,
ZINC100096721,
AK142468,
AX8282291,
O0430,
CID4371641,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.343g/mol |
| Monoisotopic Mass | 231.174g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number