5-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 132522-81-7
Catalog: |
BB007597 |
Product Name: |
5-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one |
CAS: |
132522-81-7 |
Synonyms: |
5-nitro-4H-1,4-benzoxazin-3-one; 5-nitro-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 5-nitro-4H-1,4-benzoxazin-3-one |
Description: | 5-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 132522-81-7 ) is a useful research chemical. |
Molecular Weight: | 194.14 |
Molecular Formula: | C8H6N2O4 |
Canonical SMILES: | C1C(=O)NC2=C(C=CC=C2O1)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6N2O4/c11-7-4-14-6-3-1-2-5(10(12)13)8(6)9-7/h1-3H,4H2,(H,9,11) |
InChI Key: | MJMKRYIJNBIITM-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD11100144 |
LogP: | 1.58690 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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 |
JP-2013523663-A | TRPV1 vanilloid receptor antagonist with bicyclic moiety | 20100330 |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.03275668 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.03275668 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 84.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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