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2-Chloro-1-(2,3,4,6-tetramethoxyphenyl)ethanone

HCID 243770
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Basic information

CAS
6938-23-4
Standard SMILES
COc1cc(OC)c(C(=O)CCl)c(OC)c1OC
InChIKey
BUCRGFFAIFGTRZ-UHFFFAOYSA-N
Molecular formula
C12H15ClO5
Average molar mass
274.7 g/mol
Monoisotopic mass
274.0608013

Names & identifiers

Preferred name
2-Chloro-1-(2,3,4,6-tetramethoxyphenyl)ethanone
IUPAC
2-chloro-1-(2,3,4,6-tetramethoxyphenyl)ethanone

Names & synonyms

6938-23-42-chloro-1-(2,3,4,6-tetramethoxyphenyl)ethanoneNSC53932DTXSID40989163NSC-53932DS-0018402-Chloro-1-(2,3,4,6-tetramethoxyphenyl)ethan-1-oneN-(2-BROMO-4-METHYLSULFONYLIMINO-NAPHTHALEN-1-YLIDENE)METHANESULFONAMIDE

Database identifiers

CAS
6938-23-4
PubChem CID
243770
DTXSID
DTXSID40989163

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
54 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
18
Formal charge
0
Complexity
273

Related reactions

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Compound notes

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