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70180-38-0 | Ethyl 2-chloro-4,6-dihydroxynicotinate
CAS No: 70180-38-0 Catalog No: AG003Q3O MDL No:MFCD12546397
Product Description
Catalog Number:
AG003Q3O
Chemical Name:
Ethyl 2-chloro-4,6-dihydroxynicotinate
CAS Number:
70180-38-0
Molecular Formula:
C8H8ClNO4
Molecular Weight:
217.6064
MDL Number:
MFCD12546397
IUPAC Name:
ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C8H8ClNO4/c1-2-14-8(13)6-4(11)3-5(12)10-7(6)9/h3H,2H2,1H3,(H2,10,11,12)
InChI Key:
XAMKYZWQQAAKRH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(O)cc(nc1Cl)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
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