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42521-09-5 | Methyl 2,6-dichloroisonicotinate
CAS No: 42521-09-5 Catalog No: AG003RLY MDL No:MFCD00044409
Product Description
Catalog Number:
AG003RLY
Chemical Name:
Methyl 2,6-dichloroisonicotinate
CAS Number:
42521-09-5
Molecular Formula:
C7H5Cl2NO2
Molecular Weight:
206.0261
MDL Number:
MFCD00044409
IUPAC Name:
methyl 2,6-dichloropyridine-4-carboxylate
InChI:
InChI=1S/C7H5Cl2NO2/c1-12-7(11)4-2-5(8)10-6(9)3-4/h2-3H,1H3
InChI Key:
XSKGHSUHOYEBTK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)nc(c1)Cl
EC Number:
255-868-5
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.022g/mol
Monoisotopic Mass:
204.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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