| CAS Number | 21900-53-8 |
| Catalog Number | AG01EUJ6(AGN-PC-003LL9) |
| Chemical Name | 2-Chloro-4-methylbenzoyl chloride |
| IUPAC Name | 2-chloro-4-methylbenzoyl chloride |
| InChI | InChI=1S/C8H6Cl2O/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3 |
| InChI Key | LTFBRIUWZRVMBV-UHFFFAOYSA-N |
| MDL Number | MFCD12026281 |
| Molecular Formula | C8H6Cl2O |
| Molecular Weight | 189.0386 |
| SMILES | CC1=CC(Cl)=C(C(Cl)=O)C=C1 |
| Synonyms | 2-Chloro-4-methylbenzoyl chloride,
21900-53-8,
2-chloro-4-methyl-benzoyl chloride,
SCHEMBL670210,
CTK6B6950,
LTFBRIUWZRVMBV-UHFFFAOYSA-N,
MFCD12026281,
ZINC34452028,
AKOS006317455,
|
| 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