3-[5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline - CAS 929338-53-4
Catalog: |
BB065126 |
Product Name: |
3-[5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline |
CAS: |
929338-53-4 |
Synonyms: |
3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline |
IUPAC Name: | 3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline |
Description: | 3-[5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline |
Molecular Weight: | 255.25 |
Molecular Formula: | C14H10FN3O |
Canonical SMILES: | C1=CC(=CC(=C1)N)C2=NOC(=N2)C3=CC=C(C=C3)F |
InChI: | InChI=1S/C14H10FN3O/c15-11-6-4-9(5-7-11)14-17-13(18-19-14)10-2-1-3-12(16)8-10/h1-8H,16H2 |
InChI Key: | LKRKUIXRGFLWSX-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.08079011 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.08079011 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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