Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(-c2ccc(CCl)o2)cc1- InChIKey
ZCGIRQMWFBETRE-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO3
- Average molar mass
- 237.64 g/mol
- Monoisotopic mass
- 237.0192708
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-5-(4-nitrophenyl)furan
- IUPAC
- 2-(chloromethyl)-5-(4-nitrophenyl)furan
Names & synonyms
2-(chloromethyl)-5-(4-nitrophenyl)furan65795-36-05-(chloromethyl)-2-(4-nitrophenyl)furanSCHEMBL11482739DTXSID70570104ZCGIRQMWFBETRE-UHFFFAOYSA-N5-(4-Nitrophenyl)furfuryl chlorideSTL431334AKOS000446822ST45017892
Database identifiers
- CAS
65795-36-0- PubChem CID
- 15212084
- DTXSID
DTXSID70570104
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Related reactions
5 records
Linked notes
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