| CAS Number | 261763-17-1 |
| Catalog Number | AG002S1I(AGN-PC-0R23D6) |
| Chemical Name | 3-Chloro-4-(trifluoromethoxy)benzoyl chloride |
| IUPAC Name | 3-chloro-4-(trifluoromethoxy)benzoyl chloride |
| InChI | InChI=1S/C8H3Cl2F3O2/c9-5-3-4(7(10)14)1-2-6(5)15-8(11,12)13/h1-3H |
| InChI Key | BAFYBTOKEKLGKH-UHFFFAOYSA-N |
| MDL Number | MFCD01631558 |
| Molecular Formula | C8H3Cl2F3O2 |
| Molecular Weight | 259.0094 |
| SMILES | FC(F)(F)OC1=C(Cl)C=C(C=C1)C(Cl)=O |
| Synonyms | 3-chloro-4-(trifluoromethoxy)benzoyl chloride,
261763-17-1,
Benzoyl chloride,3-chloro-4-(trifluoromethoxy)-,
AC1MCNJQ,
AC1Q4KF3,
CTK4F7279,
DTXSID50378746,
ZINC2382248,
ZX-AP010829,
MFCD01631558,
PC0179,
SBB102102,
AKOS015955993,
JS-4148,
ACM261763171,
C-0053,
3-Chloro-4-(trifluoromethoxy)benzoyl chloride, AldrichCPR,
ZINC02382248,
CID2773847,
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.005g/mol |
| Monoisotopic Mass | 257.946g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number