3-(4-Nitrophenyl)-1,2,4-oxadiazole - CAS 16013-14-2
Catalog: |
BB011603 |
Product Name: |
3-(4-Nitrophenyl)-1,2,4-oxadiazole |
CAS: |
16013-14-2 |
Synonyms: |
3-(4-nitrophenyl)-1,2,4-oxadiazole; 3-(4-nitrophenyl)-1,2,4-oxadiazole |
IUPAC Name: | 3-(4-nitrophenyl)-1,2,4-oxadiazole |
Description: | 3-(4-Nitrophenyl)-1,2,4-oxadiazole (CAS# 16013-14-2) is a useful research chemical. |
Molecular Weight: | 191.14 |
Molecular Formula: | C8H5N3O3 |
Canonical SMILES: | C1=CC(=CC=C1C2=NOC=N2)[N+](=O)[O-] |
InChI: | InChI=1S/C8H5N3O3/c12-11(13)7-3-1-6(2-4-7)8-9-5-14-10-8/h1-5H |
InChI Key: | KWOHXJCKLMGBFD-UHFFFAOYSA-N |
MDL: | MFCD00274808 |
LogP: | 2.16800 |
Publication Number | Title | Priority Date |
CN-103619832-A | Process for the manufacture of dabigatran etexilate and intermediates thereof | 20110511 |
EP-2707364-A1 | Process for the manufacture of dabigatran etexilate and intermediates thereof | 20110511 |
EP-2707364-B1 | Process for the manufacture of dabigatran etexilate and intermediates thereof | 20110511 |
US-2014155614-A1 | Pharmaceutical intermediates and process for the preparation thereof | 20110511 |
US-9260421-B2 | Pharmaceutical intermediates and process for the preparation thereof | 20110511 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.03309103 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.03309103 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 84.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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