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1256791-15-7

1256791-15-7 | 3-Pyridinecarboxylic acid, 2-chloro-5-methoxy-, methyl ester

CAS No: 1256791-15-7 Catalog No: AG000ODC MDL No:MFCD18257753

Product Description

Catalog Number:
AG000ODC
Chemical Name:
3-Pyridinecarboxylic acid, 2-chloro-5-methoxy-, methyl ester
CAS Number:
1256791-15-7
Molecular Formula:
C8H8ClNO3
Molecular Weight:
201.6070
MDL Number:
MFCD18257753
IUPAC Name:
methyl 2-chloro-5-methoxypyridine-3-carboxylate
InChI:
InChI=1S/C8H8ClNO3/c1-12-5-3-6(8(11)13-2)7(9)10-4-5/h3-4H,1-2H3
InChI Key:
JYKTUKSGCDNJPO-UHFFFAOYSA-N
SMILES:
COc1cnc(c(c1)C(=O)OC)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:
0
Isotope Atom Count:
0
Molecular Weight:
201.606g/mol
Monoisotopic Mass:
201.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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