5-Bromo-6-fluoro-1-methyl-1,2,3-benzotriazole - CAS 1330750-48-5
Catalog: |
BB071701 |
Product Name: |
5-Bromo-6-fluoro-1-methyl-1,2,3-benzotriazole |
CAS: |
1330750-48-5 |
Synonyms: |
5-Bromo-6-fluoro-1-methyl-1,2,3-benzotriazole; 5-bromo-6-fluoro-1-methylbenzotriazole; 5-Bromo-6-fluoro-1-methyl-1H-benzotriazole |
IUPAC Name: | 5-bromo-6-fluoro-1-methylbenzotriazole |
Description: | 5-Bromo-6-fluoro-1-methyl-1,2,3-benzotriazole |
Molecular Weight: | 230.04 |
Molecular Formula: | C7H5BrFN3 |
Canonical SMILES: | CN1C2=CC(=C(C=C2N=N1)Br)F |
InChI: | InChI=1S/C7H5BrFN3/c1-12-7-3-5(9)4(8)2-6(7)10-11-12/h2-3H,1H3 |
InChI Key: | KCXBGSDYACQLLB-UHFFFAOYSA-N |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.96509 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.96509 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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