1-Benzo[1,3]dioxol-4-yl-2-bromo-ethanone

HCID 21864977
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Basic information

Standard SMILES
O=C(CBr)c1cccc2c1OCO2
InChIKey
LPFZTAOYCBBINP-UHFFFAOYSA-N
Molecular formula
C9H7BrO3
Average molar mass
243.05 g/mol

Names & identifiers

Preferred name
1-Benzo[1,3]dioxol-4-yl-2-bromo-ethanone
IUPAC
1-(1,3-benzodioxol-4-yl)-2-bromoethanone

Names & synonyms

1-(benzo[d][1,3]dioxol-4-yl)-2-bromoethanoneSCHEMBL636844LPFZTAOYCBBINP-UHFFFAOYSA-N594810-92-11-benzo[1,3]dioxol4-yl-2-bromo-ethanone1-benzo[1,3]dioxol-4-yl-2-bromo-ethanone

Database identifiers

PubChem CID
21864977

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
13

Related reactions

8 records
New reaction record

Linked notes

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