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1463-77-0 | 4-Pyridinecarboxylic acid, 2,6-dichloro-, 2-chloroethyl ester
CAS No: 1463-77-0 Catalog No: AG001DVL MDL No:
Product Description
Catalog Number:
AG001DVL
Chemical Name:
4-Pyridinecarboxylic acid, 2,6-dichloro-, 2-chloroethyl ester
CAS Number:
1463-77-0
Molecular Formula:
C8H6Cl3NO2
Molecular Weight:
254.4977
IUPAC Name:
2-chloroethyl 2,6-dichloropyridine-4-carboxylate
InChI:
InChI=1S/C8H6Cl3NO2/c9-1-2-14-8(13)5-3-6(10)12-7(11)4-5/h3-4H,1-2H2
InChI Key:
OAHOEVKBVUJZSP-UHFFFAOYSA-N
SMILES:
ClCCOC(=O)c1cc(Cl)nc(c1)Cl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.946g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.491g/mol
Monoisotopic Mass:
252.946g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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