| CAS Number | 1365271-97-1 |
| Catalog Number | AG0011ZS(AGN-PC-0J2C7D) |
| Chemical Name | 5-Bromo-6-fluoro-1-propylbenzotriazole |
| IUPAC Name | 5-bromo-6-fluoro-1-propylbenzotriazole |
| InChI | InChI=1S/C9H9BrFN3/c1-2-3-14-9-5-7(11)6(10)4-8(9)12-13-14/h4-5H,2-3H2,1H3 |
| InChI Key | RQNUPUQUHXKHLK-UHFFFAOYSA-N |
| MDL Number | MFCD21609584 |
| Molecular Formula | C9H9BrFN3 |
| Molecular Weight | 258.0903 |
| SMILES | CCCn1nnc2c1cc(F)c(c2)Br |
| Synonyms | 5-Bromo-6-fluoro-1-propylbenzotriazole,
1365271-97-1,
ACMC-209c77,
SCHEMBL20512754,
CTK8B0514,
DTXSID10742868,
ANW-20081,
MFCD21609584,
ZINC85477038,
CJ-22408,
TC-108826,
5-Bromo-6-fluoro-1-propyl-1H-benzotriazole,
V2579,
1H-Benzotriazole, 5-bromo-6-fluoro-1-propyl-,
K-4373,
C9H9BrFN3,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.094g/mol |
| Monoisotopic Mass | 256.996g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number