4-(4-Nitrophenoxy)benzoic acid - CAS 16309-45-8
Catalog: |
BB011941 |
Product Name: |
4-(4-Nitrophenoxy)benzoic acid |
CAS: |
16309-45-8 |
Synonyms: |
4-(4-nitrophenoxy)benzoic acid |
IUPAC Name: | 4-(4-nitrophenoxy)benzoic acid |
Description: | 4-(4-Nitrophenoxy)benzoic acid (CAS# 16309-45-8) is a useful research chemical. |
Molecular Weight: | 259.21 |
Molecular Formula: | C13H9NO5 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C13H9NO5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16) |
InChI Key: | XTVBFFGZCMYUJX-UHFFFAOYSA-N |
Boiling Point: | 429.3 ℃ at 760 mmHg |
Density: | 1.405 g/cm3 |
MDL: | MFCD00429494 |
LogP: | 3.60850 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109336416-B | Glass wool and preparation method thereof | 20180917 |
WO-2015051149-A1 | Sorafenib analogs and uses thereof | 20131004 |
WO-2014003153-A1 | Substituted amide compound | 20120628 |
RU-2409555-C1 | Method for synthesis of 4-(3,4-diaminophenoxy)benzoic acid esters | 20090623 |
US-2009023731-A1 | Soluble epoxide hydrolase inhibitors | 20070322 |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.04807239 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.04807239 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 92.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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