| CAS Number | 887267-05-2 |
| Catalog Number | AG01EEWB(AGN-PC-0VNJOT) |
| Chemical Name | 2,5-Difluoro-4-Hydroxybenzonitrile |
| IUPAC Name | 2,5-difluoro-4-hydroxybenzonitrile |
| InChI | InChI=1S/C7H3F2NO/c8-5-2-7(11)6(9)1-4(5)3-10/h1-2,11H |
| InChI Key | JUMIREAGYDSCKO-UHFFFAOYSA-N |
| MDL Number | MFCD09258917 |
| Molecular Formula | C7H3F2NO |
| Molecular Weight | 155.1016 |
| SMILES | FC1=C(C#N)C=C(C(=C1)O)F |
| Synonyms | 2,5-difluoro-4-hydroxybenzonitrile,
887267-05-2,
MFCD09258917,
ZINC39125668,
FCH1177397,
PC53157,
PS-11703,
Benzonitrile,2,5-difluoro-4-hydroxy-,
Benzonitrile, 2,5-difluoro-4-hydroxy-,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.104g/mol |
| Monoisotopic Mass | 155.018g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number