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142266-66-8 | 3-Pyridinecarboxylic acid, 2,5-dichloro-4,6-dimethyl-
CAS No: 142266-66-8 Catalog No: AG001I2Z MDL No:MFCD02932725
Product Description
Catalog Number:
AG001I2Z
Chemical Name:
3-Pyridinecarboxylic acid, 2,5-dichloro-4,6-dimethyl-
CAS Number:
142266-66-8
Molecular Formula:
C8H7Cl2NO2
Molecular Weight:
220.0527
MDL Number:
MFCD02932725
IUPAC Name:
2,5-dichloro-4,6-dimethylpyridine-3-carboxylic acid
InChI:
InChI=1S/C8H7Cl2NO2/c1-3-5(8(12)13)7(10)11-4(2)6(3)9/h1-2H3,(H,12,13)
InChI Key:
QJUGBRJQIHDUNF-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)nc(c(c1C)Cl)C
Properties
Complexity:
212
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:
1
Isotope Atom Count:
0
Molecular Weight:
220.049g/mol
Monoisotopic Mass:
218.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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