2-Bromo-5-(trifluoromethyl)benzoic Acid - CAS 1483-56-3
Catalog: |
BB010294 |
Product Name: |
2-Bromo-5-(trifluoromethyl)benzoic Acid |
CAS: |
1483-56-3 |
Synonyms: |
2-bromo-5-(trifluoromethyl)benzoic acid; 2-bromo-5-(trifluoromethyl)benzoic acid |
IUPAC Name: | 2-bromo-5-(trifluoromethyl)benzoic acid |
Description: | 2-Bromo-5-(trifluoromethyl)benzoic Acid (CAS# 1483-56-3) is a useful research chemical. |
Molecular Weight: | 269.02 |
Molecular Formula: | C8H4BrF3O2 |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)C(=O)O)Br |
InChI: | InChI=1S/C8H4BrF3O2/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14) |
InChI Key: | REBQGRPKXYIJDC-UHFFFAOYSA-N |
Boiling Point: | 301 °C at 760 mmHg |
Density: | 1.773 g/cm3 |
Appearance: | Solid |
MDL: | MFCD06208253 |
LogP: | 3.16610 |
Publication Number | Title | Priority Date |
WO-2021033141-A1 | Fused heterocyclic compounds and their use as pest control agents | 20190820 |
WO-2020261114-A1 | 2,3-dihydroquinazolin compounds as nav1.8 inhibitors | 20190627 |
WO-2020146682-A1 | Carboxamides as modulators of sodium channels | 20190110 |
TW-202003457-A | Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives | 20180522 |
US-2019359565-A1 | Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives | 20180522 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.93468 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.93468 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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