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1623-88-7 | 2-Furancarboxaldehyde, 5-(chloromethyl)-
CAS No: 1623-88-7 Catalog No: AG001SZ5 MDL No:MFCD02181084
Product Description
Catalog Number:
AG001SZ5
Chemical Name:
2-Furancarboxaldehyde, 5-(chloromethyl)-
CAS Number:
1623-88-7
Molecular Formula:
C6H5ClO2
Molecular Weight:
144.5557
MDL Number:
MFCD02181084
IUPAC Name:
5-(chloromethyl)furan-2-carbaldehyde
InChI:
InChI=1S/C6H5ClO2/c7-3-5-1-2-6(4-8)9-5/h1-2,4H,3H2
InChI Key:
KAZRCBVXUOCTIO-UHFFFAOYSA-N
SMILES:
ClCc1ccc(o1)C=O
EC Number:
216-608-6
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.998g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.554g/mol
Monoisotopic Mass:
143.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Theoretical studies on thermochemistry for conversion of 5-chloromethylfurfural into valuable chemicals. | The journal of physical chemistry. A 20111124 |
| Dramatic advancements in the saccharide to 5-(chloromethyl)furfural conversion reaction. | ChemSusChem 20090101 |
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