Basic information
- CAS
893743-46-9- Standard SMILES
O=C(O)c1ccc(COc2ccccc2F)o1- InChIKey
BKCYPRWSYNQSTF-UHFFFAOYSA-N- Molecular formula
- C12H9FO4
- Average molar mass
- 236.19 g/mol
- Monoisotopic mass
- 236.04848693
Names & identifiers
- Preferred name
- 5-[(2-Fluorophenoxy)methyl]-2-furoic acid
- IUPAC
- 5-[(2-fluorophenoxy)methyl]furan-2-carboxylic acid
- English name
- 5-[(2-FLUOROPHENOXY)METHYL]-2-FUROIC ACID
- Molecular formula
- C12H9FO4
- Molecular weight
- 236.2
Names & synonyms
5-[(2-fluorophenoxy)methyl]-2-furoic acid893743-46-95-[(2-fluorophenoxy)methyl]furan-2-carboxylic acid5-(2-fluorophenoxymethyl)furan-2-carboxylic acidMFCD068031415-((2-Fluorophenoxy)methyl)furan-2-carboxylic acidCHEMBL4127907ALBB-003755BBL015879STK346011AKOS000149168NS-03177
Show more names
AKOS MSC-05315-[(2-Fluorophenoxy)methyl]-2-furancarboxylic acid2-Furancarboxylic acid, 5-[(2-fluorophenoxy)methyl]-
CS-0248568ST45241064EN300-40278G563335-(2-fluorophenoxymethyl)furan-2-carboxylicacidZ228589172
Database identifiers
- CAS
893743-46-9- PubChem CID
- 4640586
- ChEMBL
CHEMBL4127907
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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