Basic information
- CAS
1179916-77-8- Standard SMILES
COc1ccc(-c2ccc(C(=O)O)c(F)c2)c(OC)c1- InChIKey
HFJLKBVMJKCGKL-UHFFFAOYSA-N- Molecular formula
- C15H13FO4
- Average molar mass
- 276.26 g/mol
- Monoisotopic mass
- 276.07978705
Names & identifiers
- Preferred name
- 4-(2,4-Dimethoxyphenyl)-2-fluorobenzoic acid
- IUPAC
- 4-(2,4-dimethoxyphenyl)-2-fluorobenzoic acid
- English name
- 3-Fluoro-2',4'-diMethoxy-[1,1'-biphenyl]-4-carboxylic acid
- Molecular formula
- C15H13FO4
- Molecular weight
- 276.26
Names & synonyms
1179916-77-84-(2,4-DIMETHOXYPHENYL)-2-FLUOROBENZOIC ACID3-Fluoro-2',4'-dimethoxy-[1,1'-biphenyl]-4-carboxylic acidMFCD18321323DTXSID106812683-Fluoro-2',4'-dimethoxy-[1,1'-biphenyl]-4-carboxylicacidBS-25083CS-02093904-(2,4-dimethoxyphenyl)-2-fluoro-benzoic acid3-Fluoro-2',4'-dimethoxy[1,1'-biphenyl]-4-carboxylic acid[1,1'-Biphenyl]-4-carboxylic acid, 3-fluoro-2',4'-dimethoxy-
Database identifiers
- CAS
1179916-77-8- PubChem CID
- 53211237
- DTXSID
DTXSID10681268
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
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
Chemistry & industry
Suppliers3 total
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
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
Loading…