| CAS Number | 916420-44-5 |
| Catalog Number | AG00H1SF(AGN-PC-07XT0U) |
| Chemical Name | 2-Chloro-6-(trifluoromethyl)benzoyl chloride |
| IUPAC Name | 2-chloro-6-(trifluoromethyl)benzoyl chloride |
| InChI | InChI=1S/C8H3Cl2F3O/c9-5-3-1-2-4(8(11,12)13)6(5)7(10)14/h1-3H |
| InChI Key | ZGPUACVHATTXEX-UHFFFAOYSA-N |
| MDL Number | MFCD09025361 |
| Molecular Formula | C8H3Cl2F3O |
| Molecular Weight | 243.0100 |
| SMILES | ClC1=C(C(=O)Cl)C(=CC=C1)C(F)(F)F |
| Synonyms | 2-CHLORO-6-(TRIFLUOROMETHYL)BENZOYL CHLORIDE,
916420-44-5,
MFCD09025361,
SCHEMBL4536908,
CTK6G5375,
ZGPUACVHATTXEX-UHFFFAOYSA-N,
SBB099662,
ZINC38529621,
AKOS015956665,
FS-4479,
2-chloro-6-trifluoromethyl-benzoyl chloride,
6-chloro-2-(trifluoromethyl)benzoyl chloride,
2-Chloro-3-(trifluoromethyl)benzoyl chloride,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.006g/mol |
| Monoisotopic Mass | 241.951g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number