| CAS Number | 433940-02-4 |
| Catalog Number | AG00DB9X(AGN-PC-03HHIN) |
| Chemical Name | 2,5-Difluoro-4-formylbenzonitrile |
| IUPAC Name | 2,5-difluoro-4-formylbenzonitrile |
| InChI | InChI=1S/C8H3F2NO/c9-7-2-6(4-12)8(10)1-5(7)3-11/h1-2,4H |
| InChI Key | SDXDWNYIXPZUEN-UHFFFAOYSA-N |
| MDL Number | MFCD16876871 |
| Molecular Formula | C8H3F2NO |
| Molecular Weight | 167.1123 |
| SMILES | FC1=C(C#N)C=C(C(=C1)C=O)F |
| Synonyms | 2,5-Difluoro-4-formylbenzonitrile,
433940-02-4,
4-cyano-2,5-difluorobenzaldehyde,
SCHEMBL364534,
SDXDWNYIXPZUEN-UHFFFAOYSA-N,
CS-B1008,
MFCD16876871,
ZINC113664192,
Benzonitrile, 2,5-difluoro-4-formyl-,
FCH1172354,
AS-46371,
EN300-198514,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.115g/mol |
| Monoisotopic Mass | 167.018g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number