Basic information
- CAS
1270494-15-9- Standard SMILES
Cc1cc(C(=O)O)c(F)cc1C(N)CCO- InChIKey
CGBJWQGAEVBDML-UHFFFAOYSA-N- Molecular formula
- C11H14FNO3
- Average molar mass
- 227.23 g/mol
- Monoisotopic mass
- 227.09577147
Names & identifiers
- Preferred name
- 4-(1-Amino-3-hydroxypropyl)-2-fluoro-5-methylbenzoic acid
- IUPAC
- 4-(1-amino-3-hydroxypropyl)-2-fluoro-5-methylbenzoic acid
Names & synonyms
DTXSID3011846864-(1-Amino-3-hydroxypropyl)-2-fluoro-5-methylbenzoic acidBenzoic acid, 4-(1-amino-3-hydroxypropyl)-2-fluoro-5-methyl-1270494-15-9
Database identifiers
- CAS
1270494-15-9- PubChem CID
- 165352829
- DTXSID
DTXSID301184686
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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