3'-Bromo-2,2,2-trifluoroacetophenone - CAS 655-26-5
Catalog: |
BB032760 |
Product Name: |
3'-Bromo-2,2,2-trifluoroacetophenone |
CAS: |
655-26-5 |
Synonyms: |
1-(3-bromophenyl)-2,2,2-trifluoroethanone |
IUPAC Name: | 1-(3-bromophenyl)-2,2,2-trifluoroethanone |
Description: | 3'-Bromo-2,2,2-trifluoroacetophenone (CAS# 655-26-5) is a useful research chemical. |
Molecular Weight: | 253.02 |
Molecular Formula: | C8H4BrF3O |
Canonical SMILES: | C1=CC(=CC(=C1)Br)C(=O)C(F)(F)F |
InChI: | InChI=1S/C8H4BrF3O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4H |
InChI Key: | JOKNUXPHMQZTQB-UHFFFAOYSA-N |
Boiling Point: | 235.626 ℃ at 760 mmHg |
Density: | 1.648 g/cm3 |
MDL: | MFCD00511232 |
LogP: | 3.19410 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-202000651-A | Therapeutic compounds and methods of use thereof | 20180226 |
US-2019263786-A1 | Therapeutic compounds and methods of use thereof | 20180226 |
WO-2019165290-A1 | Pyridine-sulfonamide compounds and their use against pain and related conditions | 20180226 |
EP-3759098-A1 | Pyridine-sulfonamide compounds and their use against pain and related conditions | 20180226 |
US-11028075-B2 | Therapeutic compounds and methods of use thereof | 20180226 |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.93976 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.93976 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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