5-(3-Chloro-2-methylphenyl)furan-2-carboxylic acid
Basic information
- CAS
353761-03-2- Standard SMILES
Cc1c(Cl)cccc1-c1ccc(C(=O)O)o1- InChIKey
LFEBNPDEXNGTRZ-UHFFFAOYSA-N- Molecular formula
- C12H9ClO3
- Average molar mass
- 236.65 g/mol
- Monoisotopic mass
- 236.0240218
Names & identifiers
- Preferred name
- 5-(3-Chloro-2-methylphenyl)furan-2-carboxylic acid
- IUPAC
- 5-(3-chloro-2-methylphenyl)furan-2-carboxylic acid
Names & synonyms
5-(3-chloro-2-methylphenyl)furan-2-carboxylic acid353761-03-2CBMicro_012622Cambridge id 6268709DTXSID201228695SMSF0019153BBL024034MFCD02221244SBB058385STK173365AKOS000109194CB00163
Show more names
VS-07616BIM-0012794.P0015-(3-chloro-2-methylphenyl)-2-furoic acidCS-0360561EU-0074394ST51016849AN-465/14952185SR-01000457806
Database identifiers
- CAS
353761-03-2- PubChem CID
- 736323
- DTXSID
DTXSID201228695
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
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Related reactions
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Compound notes
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