| CAS Number | 64359-02-0 |
| Catalog Number | AG00EOAB(AGN-PC-00KQIV) |
| Chemical Name | 2,6-Diethylbenzoyl chloride |
| IUPAC Name | 2,6-diethylbenzoyl chloride |
| InChI | InChI=1S/C11H13ClO/c1-3-8-6-5-7-9(4-2)10(8)11(12)13/h5-7H,3-4H2,1-2H3 |
| InChI Key | QQRITLYBTVMRHT-UHFFFAOYSA-N |
| MDL Number | MFCD13174359 |
| Molecular Formula | C11H13ClO |
| Molecular Weight | 196.6733 |
| SMILES | C1(C(=C(CC)C=CC=1)C(Cl)=O)CC |
| Synonyms | 2,6-Diethylbenzoyl chloride,
64359-02-0,
2,6-DIETHYL-BENZOYL CHLORIDE,
2,6-diethylbenzoylchloride,
2,6-diethylbenzoyl-chloride,
SCHEMBL9712566,
DTXSID90517253,
QQRITLYBTVMRHT-UHFFFAOYSA-N,
ZINC39057113,
AKOS015995964,
Benzoylchloride,2,6-diethyl-,
Benzoyl chloride, 2,6-diethyl- (7CI,9CI),
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.674g/mol |
| Monoisotopic Mass | 196.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number