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125849-96-9 | 4-Pyridinecarboxylic acid, 2,6-dichloro-3-methyl-, methyl ester
CAS No: 125849-96-9 Catalog No: AG000OUI MDL No:
Product Description
Catalog Number:
AG000OUI
Chemical Name:
4-Pyridinecarboxylic acid, 2,6-dichloro-3-methyl-, methyl ester
CAS Number:
125849-96-9
Molecular Formula:
C8H7Cl2NO2
Molecular Weight:
220.0527
IUPAC Name:
methyl 2,6-dichloro-3-methylpyridine-4-carboxylate
InChI:
InChI=1S/C8H7Cl2NO2/c1-4-5(8(12)13-2)3-6(9)11-7(4)10/h3H,1-2H3
InChI Key:
ZXKKQCNCVITOAK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)nc(c1C)Cl
Properties
Complexity:
201
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:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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