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68359-07-9 | 5-Chloro-2-ethoxynicotinic acid
CAS No: 68359-07-9 Catalog No: AG005R7P MDL No:MFCD07403147
Product Description
Catalog Number:
AG005R7P
Chemical Name:
5-Chloro-2-ethoxynicotinic acid
CAS Number:
68359-07-9
Molecular Formula:
C8H8ClNO3
Molecular Weight:
201.6070
MDL Number:
MFCD07403147
IUPAC Name:
5-chloro-2-ethoxypyridine-3-carboxylic acid
InChI:
InChI=1S/C8H8ClNO3/c1-2-13-7-6(8(11)12)3-5(9)4-10-7/h3-4H,2H2,1H3,(H,11,12)
InChI Key:
DTIBPOFHVJBUSH-UHFFFAOYSA-N
SMILES:
CCOc1ncc(cc1C(=O)O)Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.019g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.606g/mol
Monoisotopic Mass:
201.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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