| CAS Number | 240122-24-1 |
| Catalog Number | AG00C1SW(AGN-PC-0KK89S) |
| Chemical Name | 2,3-Difluoro-4-(trifluoromethyl)benzonitrile |
| IUPAC Name | 2,3-difluoro-4-(trifluoromethyl)benzonitrile |
| InChI | InChI=1S/C8H2F5N/c9-6-4(3-14)1-2-5(7(6)10)8(11,12)13/h1-2H |
| InChI Key | FBNHHKLZBCDJQU-UHFFFAOYSA-N |
| MDL Number | MFCD00236258 |
| Molecular Formula | C8H2F5N |
| Molecular Weight | 207.1002 |
| SMILES | N#CC1=CC=C(C(F)(F)F)C(F)=C1F |
| Synonyms | 2,3-difluoro-4-(trifluoromethyl)benzonitrile,
240122-24-1,
AC1MC6QZ,
SCHEMBL4029225,
CTK7C7583,
DTXSID50371818,
ZINC2560154,
ZX-AP008830,
MFCD00236258,
PC4993,
SBB093798,
4-Cyano-2,3-difluorobenzotrifluoride,
FCH1321296,
AJ-40482,
AX8257978,
2,3-difluoro-4-(trifluoromethyl)benzenecarbonitrile,
ZINC02560154,
CID2737077,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.103g/mol |
| Monoisotopic Mass | 207.011g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number