5-(4-Difluoromethoxy-phenyl)-2H-tetrazole - CAS 832740-88-2
Catalog: |
BB049370 |
Product Name: |
5-(4-Difluoromethoxy-phenyl)-2H-tetrazole |
CAS: |
832740-88-2 |
Synonyms: |
5-(4-(Difluoromethoxy)phenyl)-2H-tetrazole; (4-(2H-1,2,3,4-tetraazol-5-yl)phenoxy)difluoromethane |
IUPAC Name: | 5-[4-(difluoromethoxy)phenyl]-2H-tetrazole |
Description: | 5-(4-Difluoromethoxy-phenyl)-2H-tetrazole (CAS# 832740-88-2 ) is a useful research chemical. |
Molecular Weight: | 212.16 |
Molecular Formula: | C8H6F2N4O |
Canonical SMILES: | C1=CC(=CC=C1C2=NNN=N2)OC(F)F |
InChI: | InChI=1S/C8H6F2N4O/c9-8(10)15-6-3-1-5(2-4-6)7-11-13-14-12-7/h1-4,8H,(H,11,12,13,14) |
InChI Key: | RUBKYAZIXMYFTQ-UHFFFAOYSA-N |
Boiling Point: | 356.7±52.0 ℃ at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Appearance: | White solid |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.05096715 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.05096715 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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