| CAS Number | 869725-54-2 |
| Catalog Number | AG00IEAF |
| Chemical Name | 1-Bromo-2-(chloromethyl)-4-(trifluoromethyl)benzene |
| IUPAC Name | 1-bromo-2-(chloromethyl)-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H5BrClF3/c9-7-2-1-6(8(11,12)13)3-5(7)4-10/h1-3H,4H2 |
| InChI Key | RQNUUOPELLLVPX-UHFFFAOYSA-N |
| MDL Number | MFCD12025349 |
| Molecular Formula | C8H5BrClF3 |
| Molecular Weight | 273.4775 |
| SMILES | FC(C1=CC(CCl)=C(Br)C=C1)(F)F |
| Synonyms | 1-BROMO-2-(CHLOROMETHYL)-4-(TRIFLUOROMETHYL)BENZENE,
869725-54-2,
2-Bromo-5-(trifluoromethyl)benzyl chloride,
SCHEMBL3680986,
DTXSID40603372,
RQNUUOPELLLVPX-UHFFFAOYSA-N,
MFCD12025349,
ZINC59317745,
AKOS017565446,
AM62583,
CS-W000703,
AS-41504,
Benzene, 1-bromo-2-(chloromethyl)-4-(trifluoromethyl)-,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.922g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.477g/mol |
| Monoisotopic Mass | 271.922g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number