2-Ethyl-5-nitrobenzoxazole - CAS 204771-74-4
Catalog: |
BB015998 |
Product Name: |
2-Ethyl-5-nitrobenzoxazole |
CAS: |
204771-74-4 |
Synonyms: |
2-ethyl-5-nitro-1,3-benzoxazole; 2-ethyl-5-nitro-1,3-benzoxazole |
IUPAC Name: | 2-ethyl-5-nitro-1,3-benzoxazole |
Description: | 2-Ethyl-5-nitrobenzoxazole (CAS# 204771-74-4) is a useful research chemical compound. |
Molecular Weight: | 192.17 |
Molecular Formula: | C9H8N2O3 |
Canonical SMILES: | CCC1=NC2=C(O1)C=CC(=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C9H8N2O3/c1-2-9-10-7-5-6(11(12)13)3-4-8(7)14-9/h3-5H,2H2,1H3 |
InChI Key: | FERFKXKLCUEJPW-UHFFFAOYSA-N |
MDL: | MFCD03791185 |
LogP: | 2.82160 |
Publication Number | Title | Priority Date |
US-2003129579-A1 | Multi-use multimodal imaging chelates | 20010904 |
US-2008241074-A1 | Multi-use multimodal imaging chelates | 20010904 |
US-2008241873-A1 | Multi-use multimodal imaging chelates | 20010904 |
US-7338651-B2 | Multi-use multimodal imaging chelates | 20010904 |
US-8323621-B2 | Multi-use multimodal imaging chelates | 20010904 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.05349212 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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