Completing data — usually done within a minute
Basic information
- CAS
204973-54-6- Standard SMILES
CNc1ccc(C(=O)OC)cc1F- InChIKey
DVAILAFZMUHEMP-UHFFFAOYSA-N- Molecular formula
- C9H10FNO2
- Average molar mass
- 183.18 g/mol
- Monoisotopic mass
- 183.06955672
Names & identifiers
- Preferred name
- Methyl 3-fluoro-4-(methylamino)benzoate
- IUPAC
- methyl 3-fluoro-4-(methylamino)benzoate
Names & synonyms
Methyl 3-fluoro-4-(methylamino)benzoate204973-54-6SCHEMBL6983986DVAILAFZMUHEMP-UHFFFAOYSA-NDTXSID701215469methyl 3-fluoro-4-methylaminobenzoateMethyl3-fluoro-4-(methylamino)benzoateEN300-6510148Benzoic acid, 3-fluoro-4-(methylamino)-, methyl ester
Database identifiers
- CAS
204973-54-6- PubChem CID
- 18359028
- DTXSID
DTXSID701215469
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Related reactions
5 records
Compound notes
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