Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate - CAS 96898-36-1
Catalog: |
BB048176 |
Product Name: |
Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate |
CAS: |
96898-36-1 |
Synonyms: |
5-ethoxycarbonyl-3-(4-nitrophenyl)-1,2,4-oxadiazole; 3-(4-Nitro-phenyl)-[1,2,4]oxadiazole-5-carboxylic acid ethyl ester |
IUPAC Name: | ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate |
Description: | Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate (CAS# 96898-36-1 ) is a useful research chemical. |
Molecular Weight: | 263.21 |
Molecular Formula: | C11H9N3O5 |
Canonical SMILES: | CCOC(=O)C1=NC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C11H9N3O5/c1-2-18-11(15)10-12-9(13-19-10)7-3-5-8(6-4-7)14(16)17/h3-6H,2H2,1H3 |
InChI Key: | HKBBGDLJNRPCMG-UHFFFAOYSA-N |
Boiling Point: | 426.1±47.0 °C at 760 mmHg |
Density: | 1.383±0.06 g/cm3 |
Complexity: | 338 |
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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