| CAS Number | 1155087-12-9 |
| Catalog Number | AG01AP6U |
| Chemical Name | 2-(4-Bromo-2-fluorophenyl)-2-hydroxyacetonitrile |
| IUPAC Name | 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetonitrile |
| InChI | InChI=1S/C8H5BrFNO/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,8,12H |
| InChI Key | KIHZCXGBIKZKML-UHFFFAOYSA-N |
| MDL Number | MFCD12169297 |
| Molecular Formula | C8H5BrFNO |
| Molecular Weight | 230.0338 |
| SMILES | OC(C1=C(F)C=C(Br)C=C1)C#N |
| Synonyms | 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetonitrile,
1155087-12-9,
FCH097241,
MFCD12169297,
AKOS009470111,
BBV-21713176,
EN300-234211,
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| Complexity | 203 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.036g/mol |
| Monoisotopic Mass | 228.954g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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