1-Bromo-3-(2,2,2-trifluoroethyl)benzene - CAS 163975-05-1
Catalog: |
BB012062 |
Product Name: |
1-Bromo-3-(2,2,2-trifluoroethyl)benzene |
CAS: |
163975-05-1 |
Synonyms: |
1-bromo-3-(2,2,2-trifluoroethyl)benzene; 1-bromo-3-(2,2,2-trifluoroethyl)benzene |
IUPAC Name: | 1-bromo-3-(2,2,2-trifluoroethyl)benzene |
Description: | 1-Bromo-3-(2,2,2-trifluoroethyl)benzene (CAS# 163975-05-1) is a useful research chemical. |
Molecular Weight: | 239.03 |
Molecular Formula: | C8H6BrF3 |
Canonical SMILES: | C1=CC(=CC(=C1)Br)CC(F)(F)F |
InChI: | InChI=1S/C8H6BrF3/c9-7-3-1-2-6(4-7)5-8(10,11)12/h1-4H,5H2 |
InChI Key: | CQVBJYBIGXUWPB-UHFFFAOYSA-N |
MDL: | MFCD10697864 |
LogP: | 3.55390 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021191384-A1 | Aryl piperidines as monoacylglycerol lipase modulators | 20200326 |
US-2021053917-A1 | Novel thyromimetics | 20190301 |
WO-2020180624-A1 | Novel thyromimetics | 20190301 |
CA-2994917-A1 | 3-indol substituted derivatives, pharmaceutical compositions and methods for use | 20150810 |
EP-3334733-A1 | 3-indol substituted derivatives, pharmaceutical compositions and methods for use | 20150810 |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.96050 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.96050 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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