5-(Chloromethyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole - CAS 110704-45-5
Catalog: |
BB069539 |
Product Name: |
5-(Chloromethyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole |
CAS: |
110704-45-5 |
Synonyms: |
5-(chloromethyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole |
IUPAC Name: | 5-(chloromethyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole |
Description: | 5-(Chloromethyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole |
Molecular Weight: | 212.61 |
Molecular Formula: | C9H6ClFN2O |
Canonical SMILES: | C1=CC=C(C(=C1)C2=NOC(=N2)CCl)F |
InChI: | InChI=1S/C9H6ClFN2O/c10-5-8-12-9(13-14-8)6-3-1-2-4-7(6)11/h1-4H,5H2 |
InChI Key: | OUTFQFIWFLMIOE-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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0152687 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0152687 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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