2-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole - CAS 944897-58-9
Catalog: |
BB069536 |
Product Name: |
2-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole |
CAS: |
944897-58-9 |
Synonyms: |
2-(CHLOROMETHYL)-5-[3-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOLE; 2-(Chloromethyl)-5-(3-(trifluoromethyl)phenyl)-1,3,4-oxadiazole; 2-Chloromethyl-5-(3-trifluoromethyl-phenyl)-[1,3,4]oxadiazole |
IUPAC Name: | 2-(chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole |
Description: | 2-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole |
Molecular Weight: | 262.62 |
Molecular Formula: | C10H6ClF3N2O |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)C2=NN=C(O2)CCl |
InChI: | InChI=1S/C10H6ClF3N2O/c11-5-8-15-16-9(17-8)6-2-1-3-7(4-6)10(12,13)14/h1-4H,5H2 |
InChI Key: | VZGBTQRFBSMTTA-UHFFFAOYSA-N |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.012075 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.012075 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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