5-Phenylisoxazole-3-carboxylic acid hydrazide - CAS 90946-22-8
Catalog: |
BB040003 |
Product Name: |
5-Phenylisoxazole-3-carboxylic acid hydrazide |
CAS: |
90946-22-8 |
Synonyms: |
5-phenyl-1,2-oxazole-3-carbohydrazide |
IUPAC Name: | 5-phenyl-1,2-oxazole-3-carbohydrazide |
Description: | 5-Phenylisoxazole-3-carboxylic acid hydrazide (CAS# 90946-22-8) is a useful research chemical. |
Molecular Weight: | 203.20 |
Molecular Formula: | C10H9N3O2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC(=NO2)C(=O)NN |
InChI: | InChI=1S/C10H9N3O2/c11-12-10(14)8-6-9(15-13-8)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,14) |
InChI Key: | XBHLFCQJZLLQDJ-UHFFFAOYSA-N |
Density: | 1.284 g/cm3 |
MDL: | MFCD06199333 |
LogP: | 2.03630 |
GHS Hazard Statement: | H302 (100%): 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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110156708-A | A kind of compound substitution heterocycle class and its preparation method and application containing acylhydrazone skeleton | 20190521 |
US-2017066711-A1 | Method for producing an arene with an aromatic c-n bond ortho to an aromatic c-o bond | 20150903 |
US-9856208-B2 | Method for producing an arene with an aromatic Câ€"N bond ortho to an aromatic Câ€"O bond | 20150903 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.069476538 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 81.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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