| CAS Number | 954388-59-1 |
| Catalog Number | AG01DI7B(AGN-PC-0D2MW0) |
| Chemical Name | 4-(Difluoromethoxy)-3-fluorobenzonitrile |
| IUPAC Name | 4-(difluoromethoxy)-3-fluorobenzonitrile |
| InChI | InChI=1S/C8H4F3NO/c9-6-3-5(4-12)1-2-7(6)13-8(10)11/h1-3,8H |
| InChI Key | FZWSJWLBGNEBBD-UHFFFAOYSA-N |
| MDL Number | MFCD18394957 |
| Molecular Formula | C8H4F3NO |
| Molecular Weight | 187.1187 |
| SMILES | N#CC1=CC=C(OC(F)F)C(F)=C1 |
| Synonyms | 4-(difluoromethoxy)-3-fluorobenzonitrile,
954388-59-1,
4-difluoromethoxy-3-fluoro-benzonitrile,
SCHEMBL2448493,
FZWSJWLBGNEBBD-UHFFFAOYSA-N,
MFCD18394957,
ZINC141315374,
5-cyano-2-(difluoromethoxy)fluorobenzene,
PS-11453,
A1-09638,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.121g/mol |
| Monoisotopic Mass | 187.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number