Home Halogens Ethyl 5-chloro-4,6-dihydroxynicotinate

Ethyl 5-chloro-4,6-dihydroxynicotinate

CAS No.:
846541-71-7
Catalog Number:
AG004Q0R
Molecular Formula:
C8H8ClNO4
Molecular Weight:
217.6064
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$202
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Product Description
Catalog Number:
AG004Q0R
Chemical Name:
Ethyl 5-chloro-4,6-dihydroxynicotinate
CAS Number:
846541-71-7
Molecular Formula:
C8H8ClNO4
Molecular Weight:
217.6064
MDL Number:
MFCD00234417
IUPAC Name:
ethyl 5-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C8H8ClNO4/c1-2-14-8(13)4-3-10-7(12)5(9)6(4)11/h3H,2H2,1H3,(H2,10,11,12)
InChI Key:
SEFFUTOCCLZPNV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(c(c1O)Cl)O
Properties
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.014g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.605g/mol
Monoisotopic Mass:
217.014g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties