Basic information
- CAS
6547-34-8- Standard SMILES
COc1c(CCl)c2c(c(OC)c1OC)COC2=O- InChIKey
UNZNABLCQIHCLL-UHFFFAOYSA-N- Molecular formula
- C12H13ClO5
- Average molar mass
- 272.68 g/mol
- Monoisotopic mass
- 272.0451512
Names & identifiers
- Preferred name
- 7-(chloromethyl)-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
- IUPAC
- 7-(chloromethyl)-4,5,6-trimethoxy-3H-2-benzofuran-1-one
Names & synonyms
6547-34-87-(chloromethyl)-4,5,6-trimethoxy-2-benzofuran-1(3H)-one1(3H)-Isobenzofuranone, 7-(chloromethyl)-4,5,6-trimethoxy-DTXSID40317200RefChem:310161DTXCID80268323UNZNABLCQIHCLL-UHFFFAOYSA-N7-(chloromethyl)-4,5,6-trimethoxyisobenzofuran-1(3H)-one7-(chloromethyl)-4,5,6-trimethoxy-3H-2-benzofuran-1-oneMFCD199822867-(chloromethyl)-4,5,6-trimethoxy-1,3-dihydro-2-benzofuran-1-oneNSC312617
Show more names
ALBB-025061SBB071726AKOS015998294NSC-312617LS-08315H348887-(chloromethyl)-4,5,6-trimethoxy-3H-isobenzofuran-1-one7-(chloromethyl)-4,5,6-trimethoxy-3-hydroisobenzofuran-1-one
Database identifiers
- CAS
6547-34-8- PubChem CID
- 329484
- DTXSID
DTXSID40317200
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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