| CAS Number | 874804-05-4 |
| Catalog Number | AG004FMZ(AGN-PC-0VE0U2) |
| Chemical Name | (2-Bromo-5-Fluorophenoxy)-Acetonitrile |
| IUPAC Name | 2-(2-bromo-5-fluorophenoxy)acetonitrile |
| InChI | InChI=1S/C8H5BrFNO/c9-7-2-1-6(10)5-8(7)12-4-3-11/h1-2,5H,4H2 |
| InChI Key | SMNFZJOYQJVJNA-UHFFFAOYSA-N |
| MDL Number | MFCD06409081 |
| Molecular Formula | C8H5BrFNO |
| Molecular Weight | 230.0338 |
| SMILES | N#CCOC1=C(Br)C=CC(F)=C1 |
| Synonyms | 874804-05-4,
(2-Bromo-5-fluorophenoxy)acetonitrile,
(2-BROMO-5-FLUOROPHENOXY)-ACETONITRILE,
Acetonitrile,2-(2-bromo-5-fluorophenoxy)-,
2-(2-bromo-5-fluorophenoxy)acetonitrile,
CTK5F8516,
DTXSID50693209,
KS-00001AY9,
1260AF,
ZINC67802432,
AKOS017559814,
MB03788,
AM804465,
TS-03272,
2-(2-Bromo-5-fluorophenoxy)-acetonitrile,
CS-0037140,
2-(2-BROMO-5-FLUORO-PHENOXY)ACETONITRILE,
J-505536,
C8H5BrFNO,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.036g/mol |
| Monoisotopic Mass | 228.954g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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