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148065-10-5 | 3-PYRIDINECARBOXYLIC ACID, 2,5-DICHLORO-, ETHYL ESTER
CAS No: 148065-10-5 Catalog No: AG001FEM MDL No:MFCD07636850
Product Description
Catalog Number:
AG001FEM
Chemical Name:
3-PYRIDINECARBOXYLIC ACID, 2,5-DICHLORO-, ETHYL ESTER
CAS Number:
148065-10-5
Molecular Formula:
C8H7Cl2NO2
Molecular Weight:
220.0527
MDL Number:
MFCD07636850
IUPAC Name:
ethyl 2,5-dichloropyridine-3-carboxylate
InChI:
InChI=1S/C8H7Cl2NO2/c1-2-13-8(12)6-3-5(9)4-11-7(6)10/h3-4H,2H2,1H3
InChI Key:
WNYVXIWPEGGUKG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Cl)cnc1Cl
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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