5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid
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Basic information
- CAS
406470-55-1- Standard SMILES
Cc1cc(OCc2ccc(C(=O)O)o2)ccc1Cl- InChIKey
QTABSYVYXVDOQN-UHFFFAOYSA-N- Molecular formula
- C13H11ClO4
- Average molar mass
- 266.67 g/mol
- Monoisotopic mass
- 266.0345865
Names & identifiers
- Preferred name
- 5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid
- IUPAC
- 5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxylic acid
- English name
- 5-[(4-CHLORO-3-METHYLPHENOXY)METHYL]-2-FUROIC ACID
- Molecular formula
- C13H11ClO4
- Molecular weight
- 266.68
Names & synonyms
406470-55-15-[(4-Chloro-3-methylphenoxy)methyl]-2-furancarboxylic acid5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acidRefChem:2991225-[(4-Chloro-3-methylphenoxy)methyl]-2-furoic acid5-((4-Chloro-3-methylphenoxy)methyl)furan-2-carboxylic acid5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxylic acid5-(4-chloro-3-methylphenoxymethyl)furan-2-carboxylic acid5-(4-Chloro-3-methylphenoxymethyl)-furan-2-carboxylic acidMFCD02090846Furane-2-carboxylic acid, 5-(4-chloro-3-methylphenoxymethyl)-Oprea1_125313
Show more names
AKOS B000163AKOS MSC-0570ART-CHEM-BB B000163TIMTEC-BB SBB0010365-(4-CHLORO-3-METHYL-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID2-Furancarboxylic acid, 5-[(4-chloro-3-methylphenoxy)methyl]-
QTABSYVYXVDOQN-UHFFFAOYSA-NDTXSID701191009GRA47055SBB001036STK346652AKOS000206023ST027298UNM-0000305931
Database identifiers
- CAS
406470-55-1- PubChem CID
- 580495
- DTXSID
DTXSID701191009
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
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
- Symbol(GHS)
- GHS07
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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