| CAS Number | 21900-50-5 |
| Catalog Number | AG007OU0(AGN-PC-003LLA) |
| Chemical Name | 2-Chloro-5-methylbenzoyl chloride |
| IUPAC Name | 2-chloro-5-methylbenzoyl chloride |
| InChI | InChI=1S/C8H6Cl2O/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3 |
| InChI Key | DJBPCOCGEZHKMO-UHFFFAOYSA-N |
| MDL Number | MFCD12025213 |
| Molecular Formula | C8H6Cl2O |
| Molecular Weight | 189.0386 |
| SMILES | C1(Cl)=CC=C(C)C=C1C(=O)Cl |
| Synonyms | 2-Chloro-5-methylbenzoyl chloride,
21900-50-5,
BENZOYL CHLORIDE, 2-CHLORO-5-METHYL-,
SCHEMBL1489033,
CTK4E7929,
DTXSID70567751,
DJBPCOCGEZHKMO-UHFFFAOYSA-N,
ZINC34452030,
SC-50278,
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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 |
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Certificate of Analysis
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