| CAS Number | 1403483-83-9 |
| Catalog Number | AG009WZM(AGN-PC-0WA4HD) |
| Chemical Name | 1-Butyl-1,2,3-benzotriazole-5-carbonitrile |
| IUPAC Name | 1-butylbenzotriazole-5-carbonitrile |
| InChI | InChI=1S/C11H12N4/c1-2-3-6-15-11-5-4-9(8-12)7-10(11)13-14-15/h4-5,7H,2-3,6H2,1H3 |
| InChI Key | NBRSBMDPPDQTNK-UHFFFAOYSA-N |
| MDL Number | MFCD22549326 |
| Molecular Formula | C11H12N4 |
| Molecular Weight | 200.2398 |
| SMILES | CCCCn1nnc2c1ccc(c2)C#N |
| Synonyms | 1-BUTYL-1,2,3-BENZOTRIAZOLE-5-CARBONITRILE,
1403483-83-9,
SCHEMBL19915952,
KM3918,
ZINC95217987,
V3079,
C11H12N4,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.245g/mol |
| Monoisotopic Mass | 200.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number