1-Benzyl-5-bromo-6-fluorobenzotriazole - CAS 1365272-70-3
Catalog: |
BB073427 |
Product Name: |
1-Benzyl-5-bromo-6-fluorobenzotriazole |
CAS: |
1365272-70-3 |
Synonyms: |
1-Benzyl-5-bromo-6-fluorobenzotriazole; 1-Benzyl-5-bromo-6-fluoro-1H-benzotriazole |
IUPAC Name: | 1-benzyl-5-bromo-6-fluorobenzotriazole |
Description: | 1-Benzyl-5-bromo-6-fluorobenzotriazole |
Molecular Weight: | 306.13 |
Molecular Formula: | C13H9BrFN3 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C3=CC(=C(C=C3N=N2)Br)F |
InChI: | InChI=1S/C13H9BrFN3/c14-10-6-12-13(7-11(10)15)18(17-16-12)8-9-4-2-1-3-5-9/h1-7H,8H2 |
InChI Key: | JTZWFCMDDNXPTP-UHFFFAOYSA-N |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.99639 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.99639 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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