| CAS Number | 389-44-6 |
| Catalog Number | AG00CLTX |
| Chemical Name | 6-Fluoro-1-phenyl-1,2,3-benzotriazole |
| IUPAC Name | 6-fluoro-1-phenylbenzotriazole |
| InChI | InChI=1S/C12H8FN3/c13-9-6-7-11-12(8-9)16(15-14-11)10-4-2-1-3-5-10/h1-8H |
| InChI Key | FYPNUIWSHHSDST-UHFFFAOYSA-N |
| MDL Number | MFCD21609582 |
| Molecular Formula | C12H8FN3 |
| Molecular Weight | 213.2104 |
| SMILES | FC1=CC=C2N=NN(C3=CC=CC=C3)C2=C1 |
| Synonyms | 6-Fluoro-1-phenyl-1,2,3-benzotriazole,
389-44-6,
ACMC-20aiy7,
SCHEMBL19848735,
1-Phenyl-6-fluoro-1H-benzotriazole,
ANW-75485,
MFCD21609582,
ZINC85476361,
TC-164230,
V5670,
K-8447,
1-phenyl-6-fluoro-1H-benzo[d][1,2,3]triazole,
C12H8FN3,
1-cyclohexyl-6-fluorobenzotriazole,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.215g/mol |
| Monoisotopic Mass | 213.07g/mol |
| Rotatable Bond Count | 1 |
| 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