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1261491-11-5 | 2-Pyridineacetic acid, 4-chloro-3-methoxy-, methyl ester
CAS No: 1261491-11-5 Catalog No: AG000RSO MDL No:
Product Description
Catalog Number:
AG000RSO
Chemical Name:
2-Pyridineacetic acid, 4-chloro-3-methoxy-, methyl ester
CAS Number:
1261491-11-5
Molecular Formula:
C9H10ClNO3
Molecular Weight:
215.6336
IUPAC Name:
(4-chloro-3-methoxypyridin-2-yl)methyl acetate
InChI:
InChI=1S/C9H10ClNO3/c1-6(12)14-5-8-9(13-2)7(10)3-4-11-8/h3-4H,5H2,1-2H3
InChI Key:
IIOSRWIIOIBXOE-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1nccc(c1OC)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:
215.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.633g/mol
Monoisotopic Mass:
215.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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