5-Amino-3-(4-fluorophenyl)isoxazole - CAS 81465-82-9
Catalog: |
BB036656 |
Product Name: |
5-Amino-3-(4-fluorophenyl)isoxazole |
CAS: |
81465-82-9 |
Synonyms: |
3-(4-fluorophenyl)-5-isoxazolamine; 3-(4-fluorophenyl)-1,2-oxazol-5-amine |
IUPAC Name: | 3-(4-fluorophenyl)-1,2-oxazol-5-amine |
Description: | 5-Amino-3-(4-fluorophenyl)isoxazole (CAS# 81465-82-9) is a useful research chemical. |
Molecular Weight: | 178.16 |
Molecular Formula: | C9H7FN2O |
Canonical SMILES: | C1=CC(=CC=C1C2=NOC(=C2)N)F |
InChI: | InChI=1S/C9H7FN2O/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,11H2 |
InChI Key: | UUIDVOMRKXGYHN-UHFFFAOYSA-N |
Boiling Point: | 373.7 ℃ at 760 mmHg |
Density: | 1.298 g/cm3 |
MDL: | MFCD03407398 |
LogP: | 2.64410 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109535153-B | Benzisothiazolinone isoxazole acetamide derivative and synthetic method and application thereof | 20181010 |
EP-2526098-A1 | Nitrogen-containing heteroaryl derivatives | 20100122 |
EP-2526098-B1 | Nitrogen-containing heteroaryl derivatives | 20100122 |
JP-2013517316-A | Nitrogen-containing heteroaryl derivatives | 20100122 |
JP-5735987-B2 | Nitrogen-containing heteroaryl derivatives | 20100122 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.05424101 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.05424101 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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