Benzoic acid, 5-amino-2-(2-hydroxy-1,1,1,3,3,3-hexafluoro-2-propyl)-
Basic information
- CAS
100811-91-4- Standard SMILES
Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(C(=O)O)c1- InChIKey
ATYXPTXSXDFIEM-UHFFFAOYSA-N- Molecular formula
- C10H7F6NO3
- Average molar mass
- 303.16 g/mol
- Monoisotopic mass
- 303.03301206
Names & identifiers
- Preferred name
- Benzoic acid, 5-amino-2-(2-hydroxy-1,1,1,3,3,3-hexafluoro-2-propyl)-
- IUPAC
- 5-amino-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzoic acid
Names & synonyms
5-Amino-2-(2-hydroxy-1,1,1,3,3,3-hexafluoro-2-propyl)benzoic acid100811-91-4DTXSID301435305-Amino-2((1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl)benzoic acidBENZOIC ACID, 5-AMINO-2-(2-HYDROXY-1,1,1,3,3,3-HEXAFLUORO-2-PROPYL)-RefChem:327662DTXCID1066021NSC1602195-amino-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzoic acidNSC-160219Benzoic acid, 5-amino-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-
Database identifiers
- CAS
100811-91-4- PubChem CID
- 58033
- DTXSID
DTXSID30143530- Nikkaji
- J73.844A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
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Related reactions
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Compound notes
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