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82140-73-6 | 2-chloro-4-(methoxycarbonyl)-6-methylpyridine-3-carboxylic acid
CAS No: 82140-73-6 Catalog No: AG0051HU MDL No:
Product Description
Catalog Number:
AG0051HU
Chemical Name:
2-chloro-4-(methoxycarbonyl)-6-methylpyridine-3-carboxylic acid
CAS Number:
82140-73-6
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
IUPAC Name:
2-chloro-4-methoxycarbonyl-6-methylpyridine-3-carboxylic acid
InChI:
InChI=1S/C9H8ClNO4/c1-4-3-5(9(14)15-2)6(8(12)13)7(10)11-4/h3H,1-2H3,(H,12,13)
InChI Key:
XEIPETREABYTTL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)nc(c1C(=O)O)Cl
NSC Number:
126863
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.014g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.616g/mol
Monoisotopic Mass:
229.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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