Basic information
- CAS
67075-69-8- Standard SMILES
Cc1cc(C)c(C)c(C(=O)Cl)c1C- InChIKey
KSOXFKOIVXMTSB-UHFFFAOYSA-N- Molecular formula
- C11H13ClO
- Average molar mass
- 196.67 g/mol
- Monoisotopic mass
- 196.0654927
Names & identifiers
- Preferred name
- 2,3,5,6-Tetramethylbenzoyl chloride
- IUPAC
- 2,3,5,6-tetramethylbenzoyl chloride
- English name
- Benzoylchloride,2,3,5,6-tetramethyl-(9CI)
- Molecular formula
- C11H13ClO
- Molecular weight
- 196.67
Names & synonyms
2,3,5,6-Tetramethylbenzoyl chloride67075-69-8BENZOYLCHLORIDE,2,3,5,6-TETRAMETHYL-SCHEMBL1312119DTXSID40495274Benzoylchloride,2,3,5,6-tetramethyl-(9CI)
Database identifiers
- CAS
67075-69-8- PubChem CID
- 12378426
- DTXSID
DTXSID40495274
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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