Basic information
- CAS
61389-10-4- Standard SMILES
CC(=O)N(Br)c1c(C(=O)O)cccc1C(=O)O- InChIKey
MRLOPZJQNGXWMN-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO5
- Average molar mass
- 302.08 g/mol
- Monoisotopic mass
- 300.95858
Overview
structure
Names & identifiers
- Preferred name
- Bromoacetylaminoisophthalic acid
- IUPAC
- 2-[acetyl(bromo)amino]benzene-1,3-dicarboxylic acid
Names & synonyms
Bromoacetylaminoisophthalic acid61389-10-4RefChem:1215362-[acetyl(bromo)amino]benzene-1,3-dicarboxylic acidDTXSID809769311,3-Benzenedicarboxylic acid, 5-((bromoacetyl)amino)-2-(N-BROMOACETAMIDO)BENZENE-1,3-DICARBOXYLIC ACID
Database identifiers
- CAS
61389-10-4- PubChem CID
- 3045408
- DTXSID
DTXSID80976931
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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