| CAS Number | 21900-44-7 |
| Catalog Number | AG01DIB3(AGN-PC-0NKISB) |
| Chemical Name | 4-Chloro-2-methylbenzoyl chloride |
| IUPAC Name | 4-chloro-2-methylbenzoyl chloride |
| InChI | InChI=1S/C8H6Cl2O/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3 |
| InChI Key | ZKGMMYWJFPYTGQ-UHFFFAOYSA-N |
| MDL Number | MFCD11111061 |
| Molecular Formula | C8H6Cl2O |
| Molecular Weight | 189.0386 |
| SMILES | C1(=CC=C(C=C1C)Cl)C(Cl)=O |
| Synonyms | 4-Chloro-2-methylbenzoyl chloride,
21900-44-7,
Benzoyl chloride, 4-chloro-2-methyl-,
SCHEMBL107882,
p-chloro-methylbenzoyl chloride,
CTK0J7027,
DTXSID70511350,
ZKGMMYWJFPYTGQ-UHFFFAOYSA-N,
2-Methyl-4-chlorobenzoyl chloride,
ZINC36533207,
AKOS006308729,
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| 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
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Certificate of Analysis
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