4-Nitrobenzoxazole-2(3H)-one - CAS 28955-71-7
Catalog: |
BB020026 |
Product Name: |
4-Nitrobenzoxazole-2(3H)-one |
CAS: |
28955-71-7 |
Synonyms: |
4-nitro-3H-1,3-benzoxazol-2-one; 4-nitro-3H-1,3-benzoxazol-2-one |
IUPAC Name: | 4-nitro-3H-1,3-benzoxazol-2-one |
Description: | 4-Nitrobenzoxazole-2(3H)-one (CAS# 28955-71-7 ) is a useful research chemical. |
Molecular Weight: | 180.12 |
Molecular Formula: | C7H4N2O4 |
Canonical SMILES: | C1=CC(=C2C(=C1)OC(=O)N2)[N+](=O)[O-] |
InChI: | InChI=1S/C7H4N2O4/c10-7-8-6-4(9(11)12)2-1-3-5(6)13-7/h1-3H,(H,8,10) |
InChI Key: | IXZMRVOOBBPFIZ-UHFFFAOYSA-N |
MDL: | MFCD00460557 |
LogP: | 1.96480 |
Publication Number | Title | Priority Date |
CN-110156712-A | It is a kind of to utilize aromatic nitration by-product synthesis benzoxazoles class compound and application | 20190425 |
CA-2794773-A1 | Trpv1 vanilloid receptor antagonists with a bicyclic portion | 20100330 |
EP-2377850-A1 | TRPV1 vanilloid receptor antagonists with a bicyclic portion | 20100330 |
EP-2552888-A1 | "trpv1 vanilloid receptor antagonists with a bicyclic portion" | 20100330 |
EP-2552888-B1 | Trpv1 vanilloid receptor antagonists with a bicyclic portion | 20100330 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.01710661 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.01710661 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 84.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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