Basic information
- CAS
242812-02-8- Standard SMILES
O=C(O)c1cc(-c2cccc(Cl)c2)oc1C(F)(F)F- InChIKey
BGEHYUUZQNQUMV-UHFFFAOYSA-N- Molecular formula
- C12H6ClF3O3
- Average molar mass
- 290.62 g/mol
- Monoisotopic mass
- 289.9957562
Names & identifiers
- Preferred name
- 5-(3-Chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid
- IUPAC
- 5-(3-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid
- English name
- 5-(3-CHLOROPHENYL)-2-(TRIFLUOROMETHYL)-3-FUROIC ACID, 97
- Molecular formula
- C12H6ClF3O3
- Molecular weight
- 290.62
Names & synonyms
242812-02-85-(3-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid5-(3-Chlorophenyl)-2-(trifluoromethyl)-3-furoic acidMFCD01313475Maybridge1_008325HMS565C09DTXSID20371502SBB053080AKOS025116772SB61729TS-01054DB-004107
Show more names
5-(3-CHLOROPHENYL)-2-(TRIFLUOROMETHYL)-3-FUROIC ACID, 973-Furancarboxylic acid, 5-(3-chlorophenyl)-2-(trifluoromethyl)-
CS-0360563F752233
Database identifiers
- CAS
242812-02-8- PubChem CID
- 2736643
- DTXSID
DTXSID20371502
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- HS Code
- 2932190090 · 2932190090
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
- 2932190090
Chemistry & industry
Suppliers2 total
宁波振岳医药科技有限公司19817745290 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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