2-Bromo-5-(trifluoromethoxy)aniline - CAS 887267-47-2
Catalog: |
BB039160 |
Product Name: |
2-Bromo-5-(trifluoromethoxy)aniline |
CAS: |
887267-47-2 |
Synonyms: |
2-bromo-5-(trifluoromethoxy)aniline; 2-bromo-5-(trifluoromethoxy)aniline |
IUPAC Name: | 2-bromo-5-(trifluoromethoxy)aniline |
Description: | 2-Bromo-5-(trifluoromethoxy)aniline (CAS# 887267-47-2) is a useful research chemical. |
Molecular Weight: | 256.02 |
Molecular Formula: | C7H5BrF3NO |
Canonical SMILES: | C1=CC(=C(C=C1OC(F)(F)F)N)Br |
InChI: | InChI=1S/C7H5BrF3NO/c8-5-2-1-4(3-6(5)12)13-7(9,10)11/h1-3H,12H2 |
InChI Key: | MMRYEBVMIOYMIF-UHFFFAOYSA-N |
Boiling Point: | 234.7 °C at 760 mmHg |
Density: | 1.71 g/cm3 |
MDL: | MFCD08458013 |
LogP: | 3.51110 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020261114-A1 | 2,3-dihydroquinazolin compounds as nav1.8 inhibitors | 20190627 |
CN-111825605-A | Aryl ketone amide compound and preparation method and application thereof | 20190419 |
WO-2019170543-A1 | Identification and use of erk5 inhibitors | 20180307 |
AU-2019232437-A1 | Identification and use of ERK5 inhibitors | 20180307 |
EP-3762379-A1 | Identification and use of erk5 inhibitors | 20180307 |
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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