5-(2-Fluoro-5-nitrophenyl)-2H-tetrazole - CAS 1171938-74-1
Catalog: |
BB003903 |
Product Name: |
5-(2-Fluoro-5-nitrophenyl)-2H-tetrazole |
CAS: |
1171938-74-1 |
Synonyms: |
5-(2-fluoro-5-nitrophenyl)-2H-tetrazole; 5-(2-fluoro-5-nitrophenyl)-2H-tetrazole |
IUPAC Name: | 5-(2-fluoro-5-nitrophenyl)-2H-tetrazole |
Description: | 5-(2-Fluoro-5-nitrophenyl)-2H-tetrazole (CAS# 1171938-74-1) is a useful research chemical. |
Molecular Weight: | 209.14 |
Molecular Formula: | C7H4FN5O2 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])C2=NNN=N2)F |
InChI: | InChI=1S/C7H4FN5O2/c8-6-2-1-4(13(14)15)3-5(6)7-9-11-12-10-7/h1-3H,(H,9,10,11,12) |
InChI Key: | FPUYMBWDUWZGHY-UHFFFAOYSA-N |
LogP: | 1.43720 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.03490255 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.03490255 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 100 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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