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1235475-17-8

1235475-17-8 | 2-Pyridinecarboxylic acid, 4-amino-6-chloro-, methyl ester

CAS No: 1235475-17-8 Catalog No: AG000KRV MDL No:MFCD18206770

Product Description

Catalog Number:
AG000KRV
Chemical Name:
2-Pyridinecarboxylic acid, 4-amino-6-chloro-, methyl ester
CAS Number:
1235475-17-8
Molecular Formula:
C7H7ClN2O2
Molecular Weight:
186.5957
MDL Number:
MFCD18206770
IUPAC Name:
methyl 4-amino-6-chloropyridine-2-carboxylate
InChI:
InChI=1S/C7H7ClN2O2/c1-12-7(11)5-2-4(9)3-6(8)10-5/h2-3H,1H3,(H2,9,10)
InChI Key:
VTKRZCSODFXSCT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)cc(n1)Cl

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:
1.3  

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