Basic information
- CAS
158039-67-9- Standard SMILES
O=C(O)CNC(=O)c1ccc(NC(=O)CBr)cc1- InChIKey
UUZWTKPHANMVFF-UHFFFAOYSA-N- Molecular formula
- C11H11BrN2O4
- Average molar mass
- 315.12 g/mol
- Monoisotopic mass
- 313.99022
Names & identifiers
- Preferred name
- Bromoacetyl-4-aminohippuric acid
- IUPAC
- 2-[[4-[(2-bromoacetyl)amino]benzoyl]amino]acetic acid
- English name
- bromoacetyl-4-aminohippuric acid
- Molecular formula
- C11H11BrN2O4
- Molecular weight
- 315.12
Names & synonyms
Bromoacetyl-4-aminohippuric acidBracpah158039-67-9RefChem:1215342-[[4-[(2-bromoacetyl)amino]benzoyl]amino]acetic acidDTXSID60935849NSC212162NSC-212162N-[4-(2-Bromoacetamido)benzoyl]glycineGlycine, N-[4-[(bromoacetyl)amino]benzoyl]- (9CI)
Database identifiers
- CAS
158039-67-9- PubChem CID
- 197682
- DTXSID
DTXSID60935849
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Boiling point
- 628.412 · 628.412±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.684 · 1.684±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.511 · 3.511±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…