Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate - CAS 73185-75-8
Catalog: |
BB048131 |
Product Name: |
Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate |
CAS: |
73185-75-8 |
Synonyms: |
3-(3-Nitro-phenyl)-[1,2,4]oxadiazole-5-carboxylic acid ethyl ester |
IUPAC Name: | ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate |
Description: | Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate (CAS# 73185-75-8 ) is a useful research chemical. |
Molecular Weight: | 263.21 |
Molecular Formula: | C11H9N3O5 |
Canonical SMILES: | CCOC(=O)C1=NC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C11H9N3O5/c1-2-18-11(15)10-12-9(13-19-10)7-4-3-5-8(6-7)14(16)17/h3-6H,2H2,1H3 |
InChI Key: | BOJQEKYNRDLEAN-UHFFFAOYSA-N |
Purity: | 97 % |
Complexity: | 346 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.0542204 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.0542204 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 111 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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