| CAS Number | 1393442-65-3 |
| Catalog Number | AG009WWI(AGN-PC-0WAB7E) |
| Chemical Name | 5-Bromo-6,7-difluoro-1-methylbenzotriazole |
| IUPAC Name | 5-bromo-6,7-difluoro-1-methylbenzotriazole |
| InChI | InChI=1S/C7H4BrF2N3/c1-13-7-4(11-12-13)2-3(8)5(9)6(7)10/h2H,1H3 |
| InChI Key | YHCPPQCLQCMBSO-UHFFFAOYSA-N |
| MDL Number | MFCD22383709 |
| Molecular Formula | C7H4BrF2N3 |
| Molecular Weight | 248.0276 |
| SMILES | Brc1cc2nnn(c2c(c1F)F)C |
| Synonyms | 5-Bromo-6,7-difluoro-1-methylbenzotriazole,
1393442-65-3,
5-Bromo-6,7-difluoro-1-methyl-1H-benzo[d][1,2,3]triazole,
C7H4BrF2N3,
SCHEMBL20512901,
ZINC95495619,
V2970,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.95567g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.03g/mol |
| Monoisotopic Mass | 246.95567g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number