2-Chloro-5-(trifluoromethyl)benzoxazole - CAS 114997-91-0
Catalog: |
BB003455 |
Product Name: |
2-Chloro-5-(trifluoromethyl)benzoxazole |
CAS: |
114997-91-0 |
Synonyms: |
2-chloro-5-(trifluoromethyl)-1,3-benzoxazole; 2-chloro-5-(trifluoromethyl)-1,3-benzoxazole |
IUPAC Name: | 2-chloro-5-(trifluoromethyl)-1,3-benzoxazole |
Description: | 2-Chloro-5-(trifluoromethyl)benzoxazole (CAS# 114997-91-0) is a useful research chemical. |
Molecular Weight: | 221.56 |
Molecular Formula: | C8H3ClF3NO |
Canonical SMILES: | C1=CC2=C(C=C1C(F)(F)F)N=C(O2)Cl |
InChI: | InChI=1S/C8H3ClF3NO/c9-7-13-5-3-4(8(10,11)12)1-2-6(5)14-7/h1-3H |
InChI Key: | USIZXRJQPABFJF-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 3.50000 |
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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3725788-A1 | Novel heteroaryl-substituted aminoalkyl azole compounds as pesticides | 20190415 |
WO-2020212235-A1 | Novel heteroaryl-substituted aminoalkyl azole compounds as pesticides | 20190415 |
US-10766888-B1 | HMOX1 inducers | 20190412 |
WO-2020210339-A1 | Hmox1 inducers | 20190412 |
TW-202104211-A | Hmox1 inducers | 20190412 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.9855259 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.9855259 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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