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176046-80-3 | 2-Pyridinecarboxylic acid, 3,5-dichloro-4,6-dimethoxy-
CAS No: 176046-80-3 Catalog No: AG0021E0 MDL No:
Product Description
Catalog Number:
AG0021E0
Chemical Name:
2-Pyridinecarboxylic acid, 3,5-dichloro-4,6-dimethoxy-
CAS Number:
176046-80-3
Molecular Formula:
C8H7Cl2NO4
Molecular Weight:
252.0515
IUPAC Name:
3,5-dichloro-4,6-dimethoxypyridine-2-carboxylic acid
InChI:
InChI=1S/C8H7Cl2NO4/c1-14-6-3(9)5(8(12)13)11-7(15-2)4(6)10/h1-2H3,(H,12,13)
InChI Key:
NSTOCIMDXNJPDO-UHFFFAOYSA-N
SMILES:
COc1nc(C(=O)O)c(c(c1Cl)OC)Cl
NSC Number:
648486
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.975g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.047g/mol
Monoisotopic Mass:
250.975g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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