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1260666-60-1

1260666-60-1 | 3-Pyridinecarboxylic acid, 6-amino-4-chloro-, methyl ester

CAS No: 1260666-60-1 Catalog No: AG000R07 MDL No:

Product Description

Catalog Number:
AG000R07
Chemical Name:
3-Pyridinecarboxylic acid, 6-amino-4-chloro-, methyl ester
CAS Number:
1260666-60-1
Molecular Formula:
C7H7ClN2O2
Molecular Weight:
186.5957
IUPAC Name:
methyl 6-amino-4-chloropyridine-3-carboxylate
InChI:
InChI=1S/C7H7ClN2O2/c1-12-7(11)4-3-10-6(9)2-5(4)8/h2-3H,1H3,(H2,9,10)
InChI Key:
RSKUVDYTGIDYLE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(cc1Cl)N

Properties

Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.595g/mol
Monoisotopic Mass:
186.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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