| CAS Number | 853368-32-8 |
| Catalog Number | AG00G962(AGN-PC-0CLM9O) |
| Chemical Name | 4-(Bromomethyl)-3-(trifluoromethyl)benzonitrile |
| IUPAC Name | 4-(bromomethyl)-3-(trifluoromethyl)benzonitrile |
| InChI | InChI=1S/C9H5BrF3N/c10-4-7-2-1-6(5-14)3-8(7)9(11,12)13/h1-3H,4H2 |
| InChI Key | UTIBFWZBRANTIA-UHFFFAOYSA-N |
| MDL Number | MFCD22492235 |
| Molecular Formula | C9H5BrF3N |
| Molecular Weight | 264.0419 |
| SMILES | FC(C1=C(CBr)C=CC(C#N)=C1)(F)F |
| Synonyms | 4-(bromomethyl)-3-(trifluoromethyl)benzonitrile,
853368-32-8,
SCHEMBL1037550,
UTIBFWZBRANTIA-UHFFFAOYSA-N,
MFCD22492235,
ZINC97442040,
AKOS030623336,
FCH2278845,
PS-9908,
PC500478,
4-bromomethyl-3-trifluoromethylbenzonitrile,
4-Cyano-2-(trifluoromethyl)benzyl bromide,
AX8271552,
4-bromomethyl-3-trifluoromethyl-benzonitrile,
FT-0769398,
EN300-267036,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.045g/mol |
| Monoisotopic Mass | 262.956g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number