5-(2-Methyl-5-nitrophenyl)-2H-tetrazole - CAS 1203801-06-2
Catalog: |
BB004857 |
Product Name: |
5-(2-Methyl-5-nitrophenyl)-2H-tetrazole |
CAS: |
1203801-06-2 |
Synonyms: |
5-(2-methyl-5-nitrophenyl)-2H-tetrazole; 5-(2-methyl-5-nitrophenyl)-2H-tetrazole |
IUPAC Name: | 5-(2-methyl-5-nitrophenyl)-2H-tetrazole |
Description: | 5-(2-Methyl-5-nitrophenyl)-2H-tetrazole (CAS# 1203801-06-2 ) is a useful research chemical. |
Molecular Weight: | 205.17 |
Molecular Formula: | C8H7N5O2 |
Canonical SMILES: | CC1=C(C=C(C=C1)[N+](=O)[O-])C2=NNN=N2 |
InChI: | InChI=1S/C8H7N5O2/c1-5-2-3-6(13(14)15)4-7(5)8-9-11-12-10-8/h2-4H,1H3,(H,9,10,11,12) |
InChI Key: | CXJBGDXUUOJLGR-UHFFFAOYSA-N |
LogP: | 0.00000 |
PMID | Publication Date | Title | Journal |
21201149 | 20080917 | 5-(2-Methyl-5-nitro-phen-yl)-1H-tetra-zole | Acta crystallographica. Section E, Structure reports online |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.05997448 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.05997448 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 100 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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