| CAS Number | 21900-56-1 |
| Catalog Number | AG007OTZ(AGN-PC-02C6K8) |
| Chemical Name | 2-chloro-3-methylbenzoyl chloride |
| IUPAC Name | 2-chloro-3-methylbenzoyl chloride |
| InChI | InChI=1S/C8H6Cl2O/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3 |
| InChI Key | FUUCTBPASNZPKE-UHFFFAOYSA-N |
| MDL Number | MFCD12025003 |
| Molecular Formula | C8H6Cl2O |
| Molecular Weight | 189.0386 |
| SMILES | CC1=C(Cl)C(C(Cl)=O)=CC=C1 |
| Synonyms | 2-Chloro-3-methylbenzoyl chloride,
21900-56-1,
Benzoyl chloride, 2-chloro-3-methyl-,
2-chloro-m-toluoyl chloride,
o-chloro-methylbenzoyl chloride,
SCHEMBL2963108,
CTK0J7025,
DTXSID10598428,
FUUCTBPASNZPKE-UHFFFAOYSA-N,
ZINC67800100,
AKOS017516775,
DA-08089,
SC-50279,
FT-0745143,
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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
Lot Number