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128073-19-8 | 2-Pyridinecarboxylic acid, 3,5-dichloro-, ethyl ester
CAS No: 128073-19-8 Catalog No: AG000XR2 MDL No:MFCD09839148
Product Description
Catalog Number:
AG000XR2
Chemical Name:
2-Pyridinecarboxylic acid, 3,5-dichloro-, ethyl ester
CAS Number:
128073-19-8
Molecular Formula:
C8H7Cl2NO2
Molecular Weight:
220.0527
MDL Number:
MFCD09839148
IUPAC Name:
ethyl 3,5-dichloropyridine-2-carboxylate
InChI:
InChI=1S/C8H7Cl2NO2/c1-2-13-8(12)7-6(10)3-5(9)4-11-7/h3-4H,2H2,1H3
InChI Key:
GDANWGXDANXYNZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc(cc1Cl)Cl
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.985g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.049g/mol
Monoisotopic Mass:
218.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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