2-Bromo-1-(5-acetoxy-6,7-dimethyl-benzofuran-2-yl)-ethanone

HCID 10171998
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Basic information

CAS
581807-34-3
Standard SMILES
CC(=O)Oc1cc2cc(C(=O)CBr)oc2c(C)c1C
InChIKey
CNPKGQYKUQDZRS-UHFFFAOYSA-N
Molecular formula
C14H13BrO4
Average molar mass
325.15 g/mol
Monoisotopic mass
323.999721

Names & identifiers

Preferred name
2-Bromo-1-(5-acetoxy-6,7-dimethyl-benzofuran-2-yl)-ethanone
IUPAC
[2-(2-bromoacetyl)-6,7-dimethyl-1-benzofuran-5-yl] acetate

Names & synonyms

581807-34-32-(2-Bromoacetyl)-6,7-dimethylbenzofuran-5-yl acetate2-bromo-1-(5-acetoxy-6,7-dimethyl-benzofuran-2-yl)-ethanoneSCHEMBL5772244DTXSID00436340CNPKGQYKUQDZRS-UHFFFAOYSA-N2-(Bromoacetyl)-6,7-dimethyl-1-benzofuran-5-yl acetate

Database identifiers

CAS
581807-34-3
PubChem CID
10171998
DTXSID
DTXSID00436340

Properties

Computed structural propertiesFilling in

XLogP
3.6
Topological polar surface area
56.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
19

Related reactions

7 records
New reaction record

Compound notes

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