| CAS Number | 261952-18-5 |
| Catalog Number | AG01DD2S(AGN-PC-0WOMP1) |
| Chemical Name | 1-(Bromomethyl)-4-methyl-2-(trifluoromethyl)benzene |
| IUPAC Name | 1-(bromomethyl)-4-methyl-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H8BrF3/c1-6-2-3-7(5-10)8(4-6)9(11,12)13/h2-4H,5H2,1H3 |
| InChI Key | NMSCRLBUJIWGBQ-UHFFFAOYSA-N |
| MDL Number | MFCD01631611 |
| Molecular Formula | C9H8BrF3 |
| Molecular Weight | 253.0590 |
| SMILES | CC1=CC(=C(CBr)C=C1)C(F)(F)F |
| Synonyms | 4-METHYL-2-(TRIFLUOROMETHYL)BENZYL BROMIDE,
261952-18-5,
1-(bromomethyl)-4-methyl-2-(trifluoromethyl)benzene,
AC1MCQCW,
SCHEMBL2925363,
CTK5I9822,
ZINC2382320,
MFCD01631611,
AKOS028114672,
PS-9955,
CID2775626,
4-Methyl-2-(trifluoromethyl)benzylbromide,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.062g/mol |
| Monoisotopic Mass | 251.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number