| CAS Number | 21900-30-1 |
| Catalog Number | AG007OU1(AGN-PC-01VTO6) |
| Chemical Name | 3-Chloro-4-methylbenzoyl chloride |
| IUPAC Name | 3-chloro-4-methylbenzoyl chloride |
| InChI | InChI=1S/C8H6Cl2O/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3 |
| InChI Key | GANDSBWEBNXLMG-UHFFFAOYSA-N |
| MDL Number | MFCD07787492 |
| Molecular Formula | C8H6Cl2O |
| Molecular Weight | 189.0386 |
| SMILES | Cc1ccc(cc1Cl)C(=O)Cl |
| Synonyms | 3-Chloro-4-methylbenzoyl chloride,
21900-30-1,
Benzoyl chloride, 3-chloro-4-methyl-,
SCHEMBL4546533,
3-chloro-4-methylbenzoylchloride,
CTK0J7028,
DTXSID40593643,
GANDSBWEBNXLMG-UHFFFAOYSA-N,
3-chloro-4-methyl-benzoyl chloride,
MFCD07787492,
ZINC37594038,
AKOS012497348,
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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 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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