3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole - CAS 219986-65-9
Catalog: |
BB017263 |
Product Name: |
3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole |
CAS: |
219986-65-9 |
Synonyms: |
3-(4-bromophenyl)-5-(trifluoromethyl)-1H-pyrazole |
IUPAC Name: | 3-(4-bromophenyl)-5-(trifluoromethyl)-1H-pyrazole |
Description: | 3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole (CAS# 219986-65-9 ) is a useful research chemical. |
Molecular Weight: | 291.07 |
Molecular Formula: | C10H6BrF3N2 |
Canonical SMILES: | C1=CC(=CC=C1C2=NNC(=C2)C(F)(F)F)Br |
InChI: | InChI=1S/C10H6BrF3N2/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-5H,(H,15,16) |
InChI Key: | IJXYMIRDVATCHK-UHFFFAOYSA-N |
MDL: | MFCD01312148 |
LogP: | 3.85800 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P273, P280, P305+P351+P338, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-201940470-A | Novel heterocyclic compounds | 20180309 |
WO-2019171234-A1 | Heterocyclic compounds as fungicides | 20180309 |
BR-112020018403-A2 | HETEROCYCLIC COMPOUNDS WITH FUNGICIDES | 20180309 |
EP-3762367-A1 | Heterocyclic compounds as fungicides | 20180309 |
US-2021002232-A1 | Heterocyclic compounds as fungicides | 20180309 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 289.96665 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.96665 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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