| CAS Number | 1261622-39-2 |
| Catalog Number | AG000RW4(AGN-PC-0H9DYO) |
| Chemical Name | 5-Iodo-2-(trifluoromethyl)benzonitrile |
| IUPAC Name | 5-iodo-2-(trifluoromethyl)benzonitrile |
| InChI | InChI=1S/C8H3F3IN/c9-8(10,11)7-2-1-6(12)3-5(7)4-13/h1-3H |
| InChI Key | NGOPCCNDQKYEKE-UHFFFAOYSA-N |
| MDL Number | MFCD18398162 |
| Molecular Formula | C8H3F3IN |
| Molecular Weight | 297.0158 |
| SMILES | FC(F)(F)C1=CC=C(I)C=C1C#N |
| Synonyms | 5-iodo-2-(trifluoromethyl)benzonitrile,
1261622-39-2,
Benzonitrile, 5-iodo-2-(trifluoromethyl)-,
SCHEMBL663706,
NGOPCCNDQKYEKE-UHFFFAOYSA-N,
MFCD18398162,
AKOS027339627,
ZINC114343377,
AS-46421,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.019g/mol |
| Monoisotopic Mass | 296.926g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302
|
|
Packing Group
|
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number