2-Furoic acid, 5-(chloromethyl)-, butyl ester
Basic information
- CAS
21893-86-7- Standard SMILES
CCCCOC(=O)c1ccc(CCl)o1- InChIKey
USECJSOQKIOKSX-UHFFFAOYSA-N- Molecular formula
- C10H13ClO3
- Average molar mass
- 216.66 g/mol
- Monoisotopic mass
- 216.055322
Names & identifiers
- Preferred name
- 2-Furoic acid, 5-(chloromethyl)-, butyl ester
- IUPAC
- butyl 5-(chloromethyl)furan-2-carboxylate
- English name
- Butyl-(5-chloromethyl-2-furoate)
- Molecular weight
- 0
Names & synonyms
2-Furoic acid, 5-(chloromethyl)-, butyl esterBRN 0148753Butyl 5-chloromethyl-2-furancarboxylate21893-86-7DTXSID201762964-18-00-04085 (Beilstein Handbook Reference)RefChem:261357DTXCID3098787butyl 5-(chloromethyl)furan-2-carboxylateSCHEMBL4677058Butyl-(5-chloromethyl-2-furoate)BUTYL-(5-CHLOROMETHYL-2-FURANCARBOXYLATE)
Show more names
5-(Chloromethyl)phyrane-2-carbonoic acid butyl ester
Database identifiers
- CAS
21893-86-7- PubChem CID
- 210908
- DTXSID
DTXSID20176296- Nikkaji
- J69.824E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…