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1147979-40-5 | 4-Pyridinecarboxylic acid, 3,5-dichloro-2-methoxy-
CAS No: 1147979-40-5 Catalog No: AG000F80 MDL No:MFCD12025889
Product Description
Catalog Number:
AG000F80
Chemical Name:
4-Pyridinecarboxylic acid, 3,5-dichloro-2-methoxy-
CAS Number:
1147979-40-5
Molecular Formula:
C7H5Cl2NO3
Molecular Weight:
222.0255
MDL Number:
MFCD12025889
IUPAC Name:
3,5-dichloro-2-methoxypyridine-4-carboxylic acid
InChI:
InChI=1S/C7H5Cl2NO3/c1-13-6-5(9)4(7(11)12)3(8)2-10-6/h2H,1H3,(H,11,12)
InChI Key:
QYPMTXWJTBYSHO-UHFFFAOYSA-N
SMILES:
COc1ncc(c(c1Cl)C(=O)O)Cl
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.965g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.021g/mol
Monoisotopic Mass:
220.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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