5-(2-Chloro-4-fluorophenyl)-2H-tetrazole - CAS 1261268-87-4
Catalog: |
BB006457 |
Product Name: |
5-(2-Chloro-4-fluorophenyl)-2H-tetrazole |
CAS: |
1261268-87-4 |
Synonyms: |
5-(2-chloro-4-fluorophenyl)-2H-tetrazole; 5-(2-chloro-4-fluorophenyl)-2H-tetrazole |
IUPAC Name: | 5-(2-chloro-4-fluorophenyl)-2H-tetrazole |
Description: | 5-(2-Chloro-4-fluorophenyl)-2H-tetrazole (CAS# 1261268-87-4 ) is a useful research chemical. |
Molecular Weight: | 198.58 |
Molecular Formula: | C7H4ClFN4 |
Canonical SMILES: | C1=CC(=C(C=C1F)Cl)C2=NNN=N2 |
InChI: | InChI=1S/C7H4ClFN4/c8-6-3-4(9)1-2-5(6)7-10-12-13-11-7/h1-3H,(H,10,11,12,13) |
InChI Key: | VTBCODRRWFGNPQ-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 ℃ |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.010852 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.010852 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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