2-Bromo-4-fluorophenylacetonitrile - CAS 61150-58-1
Catalog: |
BB030971 |
Product Name: |
2-Bromo-4-fluorophenylacetonitrile |
CAS: |
61150-58-1 |
Synonyms: |
2-(2-bromo-4-fluorophenyl)acetonitrile; 2-(2-bromo-4-fluorophenyl)acetonitrile |
IUPAC Name: | 2-(2-bromo-4-fluorophenyl)acetonitrile |
Description: | 2-Bromo-4-fluorophenylacetonitrile (CAS# 61150-58-1) is a useful research chemical. |
Molecular Weight: | 214.03 |
Molecular Formula: | C8H5BrFN |
Canonical SMILES: | C1=CC(=C(C=C1F)Br)CC#N |
InChI: | InChI=1S/C8H5BrFN/c9-8-5-7(10)2-1-6(8)3-4-11/h1-2,5H,3H2 |
InChI Key: | OITVZXQQQFKXIP-UHFFFAOYSA-N |
Boiling Point: | 281 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.573 g/cm3 |
MDL: | MFCD04115829 |
LogP: | 2.65428 |
Publication Number | Title | Priority Date |
WO-2020048829-A1 | 3,9-diazaspiro[5.5]undecane compounds | 20180903 |
TW-202024083-A | 3,9-diazaspiro[5.5]undecane compounds | 20180903 |
US-2017263871-A1 | Organic electroluminescent material and organic optoelectronic device | 20161230 |
AU-2014268872-A1 | Solid forms of fungicidal pyrazoles | 20130520 |
CA-2912067-A1 | Solid forms of fungicidal pyrazoles | 20130520 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.95894 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.95894 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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