Home Halogens Dimethyl 3-chloropyridine-2,5-dicarboxylate

Dimethyl 3-chloropyridine-2,5-dicarboxylate

CAS No.:
106014-21-5
Catalog Number:
AG008Z2C
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
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Product Description
Catalog Number:
AG008Z2C
Chemical Name:
Dimethyl 3-chloropyridine-2,5-dicarboxylate
CAS Number:
106014-21-5
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
MDL Number:
MFCD00129113
IUPAC Name:
dimethyl 3-chloropyridine-2,5-dicarboxylate
InChI:
InChI=1S/C9H8ClNO4/c1-14-8(12)5-3-6(10)7(11-4-5)9(13)15-2/h3-4H,1-2H3
InChI Key:
SINDYKCLGNROTL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(c(c1)Cl)C(=O)OC
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.014g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.616g/mol
Monoisotopic Mass:
229.014g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties