| CAS Number | 868596-13-8 |
| Catalog Number | AG00IE8K(AGN-PC-0A9ZLI) |
| Chemical Name | Benzonitrile, 3,5-difluoro-2-nitro- |
| IUPAC Name | 3,5-difluoro-2-nitrobenzonitrile |
| InChI | InChI=1S/C7H2F2N2O2/c8-5-1-4(3-10)7(11(12)13)6(9)2-5/h1-2H |
| InChI Key | GCJYPUIYHNBJPH-UHFFFAOYSA-N |
| MDL Number | MFCD13185568 |
| Molecular Formula | C7H2F2N2O2 |
| Molecular Weight | 184.0998 |
| SMILES | FC=1C(=C(C#N)C=C(C1)F)[N+](=O)[O-] |
| Synonyms | 3,5-Difluoro-2-nitrobenzonitrile,
868596-13-8,
SCHEMBL56482,
DTXSID70712406,
GCJYPUIYHNBJPH-UHFFFAOYSA-N,
MFCD13185568,
ZINC68575872,
AKOS022172395,
Benzonitrile, 3,5-difluoro-2-nitro-,
MCULE-5713355850,
NE26834,
QC-8498,
AJ-117105,
EN300-80689,
Z-8427,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.102g/mol |
| Monoisotopic Mass | 184.008g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number