| CAS Number | 1119454-07-7 |
| Catalog Number | AG008ULF(AGN-PC-0WCZRR) |
| Chemical Name | 3,4-Difluoro-5-nitrobenzonitrile |
| IUPAC Name | 3,4-difluoro-5-nitrobenzonitrile |
| InChI | InChI=1S/C7H2F2N2O2/c8-5-1-4(3-10)2-6(7(5)9)11(12)13/h1-2H |
| InChI Key | KMDZJXUOUOWZAK-UHFFFAOYSA-N |
| MDL Number | MFCD11110377 |
| Molecular Formula | C7H2F2N2O2 |
| Molecular Weight | 184.0998 |
| SMILES | N#CC1=CC([N+]([O-])=O)=C(F)C(F)=C1 |
| Synonyms | 3,4-Difluoro-5-nitrobenzonitrile,
1119454-07-7,
AK135696,
DTXSID70661248,
FCH889014,
MFCD11110377,
ZINC35635682,
AKOS006306410,
DS-5142,
TF10106,
AJ-91932,
AX8168154,
DB-030886,
FT-0691975,
4,5-DIFLUORO-3-NITROBENZENECARBONITRILE,
I01-6281,
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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 |
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Certificate of Analysis
Lot Number