7-Bromobenzo[d][1,3]dioxole-4-carboxylic acid
Basic information
- Standard SMILES
O=C(O)c1ccc(Br)c2c1OCO2- InChIKey
VJCZMFDFXXYGSN-UHFFFAOYSA-N- Molecular formula
- C8H5BrO4
- Average molar mass
- 245.03 g/mol
Names & identifiers
- Preferred name
- 7-Bromobenzo[d][1,3]dioxole-4-carboxylic acid
- IUPAC
- 7-bromo-1,3-benzodioxole-4-carboxylic acid
Names & synonyms
7-bromobenzo[d][1,3]dioxole-4-carboxylic acid611231-67-5SCHEMBL4824144VJCZMFDFXXYGSN-UHFFFAOYSA-N7-bromo-benzo[1,3]dioxole-4-carboxylic acid
Database identifiers
- PubChem CID
- 21948890
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Related reactions
3 records
Compound notes
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