| CAS Number | 21900-40-3 |
| Catalog Number | AG01A51D(AGN-PC-002QH1) |
| Chemical Name | 5-Chloro-2-methylbenzoyl chloride |
| IUPAC Name | 5-chloro-2-methylbenzoyl chloride |
| InChI | InChI=1S/C8H6Cl2O/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3 |
| InChI Key | WKSLUZTZBSDWDE-UHFFFAOYSA-N |
| MDL Number | MFCD11111052 |
| Molecular Formula | C8H6Cl2O |
| Molecular Weight | 189.0386 |
| SMILES | CC1=C(C(Cl)=O)C=C(Cl)C=C1 |
| Synonyms | 5-Chloro-2-methylbenzoyl chloride,
21900-40-3,
3-Chloro-6-methylbenzoyl chloride,
5-Chloro-o-toluoyl chloride,
SCHEMBL874097,
WKSLUZTZBSDWDE-UHFFFAOYSA-N,
ZINC34382448,
AKOS006308463,
Benzoyl chloride, 5-chloro-2-methyl-,
AS-48665,
FT-0713816,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.035g/mol |
| Monoisotopic Mass | 187.98g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number