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137520-99-1 | 4-Pyridinecarboxylic acid, 2,6-dichloro-3-methyl-, ethyl ester
CAS No: 137520-99-1 Catalog No: AG0013H3 MDL No:MFCD05156546
Product Description
Catalog Number:
AG0013H3
Chemical Name:
4-Pyridinecarboxylic acid, 2,6-dichloro-3-methyl-, ethyl ester
CAS Number:
137520-99-1
Molecular Formula:
C9H9Cl2NO2
Molecular Weight:
234.0793
MDL Number:
MFCD05156546
IUPAC Name:
ethyl 2,6-dichloro-3-methylpyridine-4-carboxylate
InChI:
InChI=1S/C9H9Cl2NO2/c1-3-14-9(13)6-4-7(10)12-8(11)5(6)2/h4H,3H2,1-2H3
InChI Key:
MQWSYHGBLOKYSU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Cl)nc(c1C)Cl
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.076g/mol
Monoisotopic Mass:
233.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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