5-Bromo-2-(trifluoromethoxy)aniline - CAS 886762-08-9
Catalog: |
BB039137 |
Product Name: |
5-Bromo-2-(trifluoromethoxy)aniline |
CAS: |
886762-08-9 |
Synonyms: |
5-bromo-2-(trifluoromethoxy)aniline; 5-bromo-2-(trifluoromethoxy)aniline |
IUPAC Name: | 5-bromo-2-(trifluoromethoxy)aniline |
Description: | 5-Bromo-2-(trifluoromethoxy)aniline (CAS# 886762-08-9) is a useful research chemical. |
Molecular Weight: | 256.02 |
Molecular Formula: | C7H5BrF3NO |
Canonical SMILES: | C1=CC(=C(C=C1Br)N)OC(F)(F)F |
InChI: | InChI=1S/C7H5BrF3NO/c8-4-1-2-6(5(12)3-4)13-7(9,10)11/h1-3H,12H2 |
InChI Key: | FOJWHUFRHXEUBA-UHFFFAOYSA-N |
Boiling Point: | 230.2 °C at 760 mmHg |
Density: | 1.726 g/cm3 |
MDL: | MFCD04039242 |
LogP: | 3.51110 |
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 |
WO-2021209383-A1 | Herbicidal compounds | 20200417 |
CN-110372712-A | It is a kind of for treating the polymerase inhibitors of tumor-related illness | 20190813 |
US-2020148634-A1 | Acly inhibitors and uses thereof | 20181109 |
WO-2020097408-A1 | Acly inhibitors and uses thereof | 20181109 |
AU-2017318674-A1 | Cxcr3 receptor agonists | 20160902 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.95066 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.95066 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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