Basic information
- CAS
88949-61-5- Standard SMILES
O=C(O)CN(CC(=O)O)CC(=O)Nc1ccccc1Br- InChIKey
MRQRLKUUHJNDGT-UHFFFAOYSA-N- Molecular formula
- C12H13BrN2O5
- Average molar mass
- 345.15 g/mol
- Monoisotopic mass
- 344.00078
Names & identifiers
- Preferred name
- 2,2'-{[2-(2-Bromoanilino)-2-oxoethyl]azanediyl}diacetic acid
- IUPAC
- 2-[[2-(2-bromoanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
Names & synonyms
88949-61-5DTXSID70734623AKOS0129565662,2'-{[2-(2-Bromoanilino)-2-oxoethyl]azanediyl}diacetic acid
Database identifiers
- CAS
88949-61-5- PubChem CID
- 63646136
- DTXSID
DTXSID70734623
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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