4-Fluoro-3-phenylbenzoic acid
Basic information
- CAS
1082484-37-4- Standard SMILES
O=C(O)c1ccc(F)c(-c2ccccc2)c1- InChIKey
IVXQPJLZRIHSJG-UHFFFAOYSA-N- Molecular formula
- C13H9FO2
- Average molar mass
- 216.21 g/mol
- Monoisotopic mass
- 216.05865769
Names & identifiers
- Preferred name
- 4-Fluoro-3-phenylbenzoic acid
- IUPAC
- 4-fluoro-3-phenylbenzoic acid
- English name
- 4-Fluoro-3-phenylbenzoic acid
- Molecular formula
- C13H9FO2
- Molecular weight
- 216.21
Names & synonyms
4-FLUORO-3-PHENYLBENZOIC ACID1082484-37-4MFCD115771066-FLUORO-[1,1'-BIPHENYL]-3-CARBOXYLIC ACIDSCHEMBL15100704-fluoro-3-phenyl-benzoic acidSCHEMBL16554472DTXSID106518054-FLUORO-3-PHENYLBENZOICACIDAKOS016370792BS-251586-Fluoro[1,1'-biphenyl]-3-carboxylic acid
Show more names
Reaxys ID: 228356594-fluoro-3-phenylbenzenemacetic acid[1,1'-Biphenyl]-3-carboxylic acid, 6-fluoro-
CS-0209685E90530F637329
Database identifiers
- CAS
1082484-37-4- PubChem CID
- 28916865
- DTXSID
DTXSID10651805
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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