| CAS Number | 1445322-54-2 |
| Catalog Number | AG001JP2(AGN-PC-0WABYY) |
| Chemical Name | 6-Fluoro-1-methyl-1,2,3-benzotriazole |
| IUPAC Name | 6-fluoro-1-methylbenzotriazole |
| InChI | InChI=1S/C7H6FN3/c1-11-7-4-5(8)2-3-6(7)9-10-11/h2-4H,1H3 |
| InChI Key | GHQJAHHLXXZHJD-UHFFFAOYSA-N |
| MDL Number | MFCD25121771 |
| Molecular Formula | C7H6FN3 |
| Molecular Weight | 151.1410 |
| SMILES | Fc1ccc2c(c1)n(C)nn2 |
| Synonyms | 6-FLUORO-1-METHYL-1,2,3-BENZOTRIAZOLE,
1445322-54-2,
6-Fluoro-1-methyl-1H-benzo[d][1,2,3]triazole,
SCHEMBL17410806,
KM5732,
ZINC95496119,
1H-Benzotriazole, 6-fluoro-1-methyl-,
FCH2347457,
AX8329903,
V3331,
C7H6FN3,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.144g/mol |
| Monoisotopic Mass | 151.055g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number