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Basic information
- CAS
174702-61-5- Standard SMILES
COC(=O)C(Cc1ccccc1Br)C(=O)OC- InChIKey
JQIRJZYPLNFOQU-UHFFFAOYSA-N- Molecular formula
- C12H13BrO4
- Average molar mass
- 301.13 g/mol
- Monoisotopic mass
- 299.99972
Names & identifiers
- Preferred name
- Dimethyl [(2-bromophenyl)methyl]propanedioate
- IUPAC
- dimethyl 2-[(2-bromophenyl)methyl]propanedioate
Names & synonyms
174702-61-5Dimethyl [(2-bromophenyl)methyl]propanedioateSCHEMBL8846321DTXSID60633338JQIRJZYPLNFOQU-UHFFFAOYSA-NDimethyl 2-(2-bromobenzyl)malonate
Database identifiers
- CAS
174702-61-5- PubChem CID
- 23358293
- DTXSID
DTXSID60633338
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Related reactions
1 records
Compound notes
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