3-Tert-butyl-4-methoxybenzoyl chloride

HCID 13633555
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Basic information

CAS
104224-76-2
Standard SMILES
COc1ccc(C(=O)Cl)cc1C(C)(C)C
InChIKey
MSJOPSMIAQGYAQ-UHFFFAOYSA-N
Molecular formula
C12H15ClO2
Average molar mass
226.7 g/mol
Monoisotopic mass
226.0760574

Names & identifiers

Preferred name
3-Tert-butyl-4-methoxybenzoyl chloride
IUPAC
3-tert-butyl-4-methoxybenzoyl chloride

Names & synonyms

3-tert-butyl-4-methoxybenzoyl chloride104224-76-23-(1,1-Dimethylethyl)-4-methoxybenzoyl chlorideBenzoyl chloride, 3-(1,1-dimethylethyl)-4-methoxy-SCHEMBL5218149MSJOPSMIAQGYAQ-UHFFFAOYSA-NDTXSID9012416043-tert.butyl-4-methoxybenzoyl chlorideDA-23219

Database identifiers

CAS
104224-76-2
PubChem CID
13633555
DTXSID
DTXSID901241604

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15

Related reactions

24 records
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Compound notes

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