4-Methyl-5-fluoro-2-aminophenol-N,N,O-triacetate
Basic information
- CAS
114199-96-1- Standard SMILES
Cc1cc(N(CC(=O)O)CC(=O)O)c(OCC(=O)O)cc1F- InChIKey
FHKUMSMYYZZFPK-UHFFFAOYSA-N- Molecular formula
- C13H14FNO7
- Average molar mass
- 315.25 g/mol
- Monoisotopic mass
- 315.07542995
Names & identifiers
- Preferred name
- 4-Methyl-5-fluoro-2-aminophenol-N,N,O-triacetate
- IUPAC
- 2-[2-(carboxymethoxy)-N-(carboxymethyl)-4-fluoro-5-methylanilino]acetic acid
- English name
- 4-methyl-5-fluoro-2-aminophenol-N,N,O-triacetate
- Molecular formula
- C13H14FNO7
- Molecular weight
- 315.25
Names & synonyms
4,5-MF-Aptra114199-96-14-Methyl-5-fluoro-2-aminophenol-N,N,O-triacetateDTXSID80150673RefChem:99800DTXCID00731642-(2-(Bis(carboxymethyl)amino)-5-fluoro-4-methylphenoxy)acetic acid2,2'-{[2-(Carboxymethoxy)-4-fluoro-5-methylphenyl]azanediyl}diacetic acidGlycine, N-[2-(carboxymethoxy)-4-fluoro-5-methylphenyl]-N-(carboxymethyl)-
Database identifiers
- CAS
114199-96-1- PubChem CID
- 195067
- DTXSID
DTXSID80150673
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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