1-(3-Fluorophenyl)cyclopentanecarboxylic acid
Basic information
- CAS
214262-97-2- Standard SMILES
O=C(O)C1(c2cccc(F)c2)CCCC1- InChIKey
RLAKVCCLVVITLS-UHFFFAOYSA-N- Molecular formula
- C12H13FO2
- Average molar mass
- 208.23 g/mol
- Monoisotopic mass
- 208.08995782
Names & identifiers
- Preferred name
- 1-(3-Fluorophenyl)cyclopentanecarboxylic acid
- IUPAC
- 1-(3-fluorophenyl)cyclopentane-1-carboxylic acid
- English name
- 1-(3-Fluorophenyl)cyclopentanecarboxylic acid, 98
- Molecular formula
- C12H13FO2
- Molecular weight
- 208.23
Names & synonyms
1-(3-fluorophenyl)cyclopentanecarboxylic acid214262-97-2DTXSID20352937RefChem:224407DTXCID103040011-(3-fluorophenyl)cyclopentane-1-carboxylic AcidMFCD008006241-(3-FLUOROPHENYL)CYCLOPENTANECARBOXYLIC ACID, 981-(3-FLUOROPHENYL)CYCLOPENTANECARBOXYLICACID1-(3-Fluorophenyl)cyclophentanecarboxylic acidSCHEMBL2079237SCHEMBL30487797
Show more names
1-(3-fluorophenyl)cyclopentylmacetic acidCyclopentanecarboxylic acid, 1-(3-fluorophenyl)-1-(3-FLUOROPHENYL)CYCLOPENTANECARBOXYLIC ACID 98%1-(3-Fluorophenyl)cyclopentanecarboxylic acid, 98% 5GR1-(3-Fluorophenyl)cyclopentanecarboxylic acid - [F93053]
SBB005758AKOS000271145AB90646SY168417TS-02968CS-0199030ST50306888EN300-21619
Database identifiers
- CAS
214262-97-2- PubChem CID
- 736131
- DTXSID
DTXSID20352937
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 149 °C · 149 °C
- Boiling point
- 343.4 · 343.4±35.0 °C(Predicted)
- Density
- 1.1262 · 1.1262 (estimate)
- storage temp.
- Store at room temperature
- form
- Crystalline Powder
- pka
- 4.2 · 4.20±0.20(Predicted)
- color
- Pale gray
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- HS Code
- 29163900 · 29163900
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29163900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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