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2144-37-8 | Methyl 5-(chloromethyl)furan-2-carboxylate
CAS No: 2144-37-8 Catalog No: AG003RWO MDL No:MFCD00020922
Product Description
Catalog Number:
AG003RWO
Chemical Name:
Methyl 5-(chloromethyl)furan-2-carboxylate
CAS Number:
2144-37-8
Molecular Formula:
C7H7ClO3
Molecular Weight:
174.5817
MDL Number:
MFCD00020922
IUPAC Name:
methyl 5-(chloromethyl)furan-2-carboxylate
InChI:
InChI=1S/C7H7ClO3/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3H,4H2,1H3
InChI Key:
PWXMEBZOKUPCST-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(o1)CCl
EC Number:
218-405-8
NSC Number:
117334
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.008g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.58g/mol
Monoisotopic Mass:
174.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Discovery of adamantyl heterocyclic ketones as potent 11β-hydroxysteroid dehydrogenase type 1 inhibitors. | ChemMedChem 20110801 |
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