| CAS Number | 21900-47-0 |
| Catalog Number | AG01FEIA(AGN-PC-3H4A22) |
| Chemical Name | 3-Chloro-2-methylbenzoyl chloride |
| IUPAC Name | 3-chloro-2-methylbenzoyl chloride |
| InChI | InChI=1S/C8H6Cl2O/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3 |
| InChI Key | MTTVMWJGVXXDFM-UHFFFAOYSA-N |
| MDL Number | MFCD11111059 |
| Molecular Formula | C8H6Cl2O |
| Molecular Weight | 189.0386 |
| SMILES | C1(=CC=CC(Cl)=C1C)C(Cl)=O |
| Synonyms | 3-Chloro-2-methylbenzoyl chloride,
21900-47-0,
SCHEMBL108670,
3-chloro-methyl benzoyl chloride,
DTXSID30598425,
MTTVMWJGVXXDFM-UHFFFAOYSA-N,
ZINC67800096,
AKOS006308727,
Benzoyl chloride, 3-chloro-2-methyl-,
3-chloro-2-methylbenzoic acid chloride,
|
| 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