Home Halogens Methyl 5-(chloromethyl)-2-furoate

Methyl 5-(chloromethyl)-2-furoate

CAS No.:
2144-37-8
Catalog Number:
AG003RWO
Molecular Formula:
C7H7ClO3
Molecular Weight:
174.5817
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG003RWO
Chemical Name:
Methyl 5-(chloromethyl)-2-furoate
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
Properties