5-[(2,4-Dichlorophenoxy)methyl]-2-furancarboxylic acid
Basic information
- CAS
74556-60-8- Standard SMILES
O=C(O)c1ccc(COc2ccc(Cl)cc2Cl)o1- InChIKey
VSMPMYSNFPYXIY-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2O4
- Average molar mass
- 287.09 g/mol
- Monoisotopic mass
- 285.9799641
Names & identifiers
- Preferred name
- 5-[(2,4-Dichlorophenoxy)methyl]-2-furancarboxylic acid
- IUPAC
- 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylic acid
- English name
- 5-(2,4-DICHLORO-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID
- Molecular formula
- C12H8Cl2O4
- Molecular weight
- 287.1
Names & synonyms
74556-60-85-[(2,4-Dichlorophenoxy)methyl]-2-furancarboxylic acid5-((2,4-Dichlorophenoxy)methyl)-2-furancarboxylic acidRefChem:2990475-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylic acid5-((2,4-Dichlorophenoxy)methyl)furan-2-carboxylic acid5-[(2,4-dichlorophenoxy)methyl]-2-furoic acid5-(2,4-dichlorophenoxymethyl)furan-2-carboxylic acid5-(2,4-Dichloro-phenoxymethyl)-furan-2-carboxylic acidMFCD01854988Oprea1_322727MLS001198725
Show more names
AKOS B000224AKOS MSC-0541ART-CHEM-BB B000224TIMTEC-BB SBB001171
CHEMBL1500515SCHEMBL22480972DTXSID201209710HMS2879M04ZCA55660SBB001171STK044453AKOS000263447
Database identifiers
- CAS
74556-60-8- PubChem CID
- 725872
- DTXSID
DTXSID201209710- ChEMBL
CHEMBL1500515
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 300
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Compound notes
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