5-[4-(Difluoromethoxy)-3-methoxyphenyl]-2H-tetrazole - CAS 832739-31-8
Catalog: |
BB037006 |
Product Name: |
5-[4-(Difluoromethoxy)-3-methoxyphenyl]-2H-tetrazole |
CAS: |
832739-31-8 |
Synonyms: |
5-[4-(difluoromethoxy)-3-methoxyphenyl]-2H-tetrazole; 5-[4-(difluoromethoxy)-3-methoxyphenyl]-2H-tetrazole |
IUPAC Name: | 5-[4-(difluoromethoxy)-3-methoxyphenyl]-2H-tetrazole |
Description: | 5-[4-(Difluoromethoxy)-3-methoxyphenyl]-2H-tetrazole (CAS# 832739-31-8) is a useful research chemical compound. |
Molecular Weight: | 242.18 |
Molecular Formula: | C9H8F2N4O2 |
Canonical SMILES: | COC1=C(C=CC(=C1)C2=NNN=N2)OC(F)F |
InChI: | InChI=1S/C9H8F2N4O2/c1-16-7-4-5(8-12-14-15-13-8)2-3-6(7)17-9(10)11/h2-4,9H,1H3,(H,12,13,14,15) |
InChI Key: | WWIZMOJFJBEXFS-UHFFFAOYSA-N |
LogP: | 1.47670 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.06153183 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.06153183 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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