| CAS Number | 1261647-51-1 |
| Catalog Number | AG00A027(AGN-PC-0WNPMV) |
| Chemical Name | 1-Fluoro-3-(difluoromethyl)-2-iodobenzene |
| IUPAC Name | 1-(difluoromethyl)-3-fluoro-2-iodobenzene |
| InChI | InChI=1S/C7H4F3I/c8-5-3-1-2-4(6(5)11)7(9)10/h1-3,7H |
| InChI Key | PSZURVRASXVMPK-UHFFFAOYSA-N |
| MDL Number | MFCD18396819 |
| Molecular Formula | C7H4F3I |
| Molecular Weight | 272.0063 |
| SMILES | FC(F)C1=C(I)C(F)=CC=C1 |
| Synonyms | 1261647-51-1,
1-Fluoro-3-(difluoromethyl)-2-iodobenzene,
MFCD18396819,
ZINC95630905,
2-Fluoro-6-(difluoromethyl)iodobenzene,
AS-41045,
1-(Difluoromethyl)-3-fluoro-2-iodobenzene,
1-fluoro-3-(difluoromethyl)-2-iodobenzene, 95% - 1G 1g,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.009g/mol |
| Monoisotopic Mass | 271.931g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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