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858956-28-2

858956-28-2 | 6-Amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid

CAS No: 858956-28-2 Catalog No: AG004WV3 MDL No:MFCD09744142

Product Description

Catalog Number:
AG004WV3
Chemical Name:
6-Amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
CAS Number:
858956-28-2
Molecular Formula:
C11H8ClN3O2
Molecular Weight:
249.6531
MDL Number:
MFCD09744142
IUPAC Name:
6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C11H8ClN3O2/c12-7-3-1-6(2-4-7)10-14-8(11(16)17)5-9(13)15-10/h1-5H,(H,16,17)(H2,13,14,15)
InChI Key:
DZRKJIOFNBYMMY-UHFFFAOYSA-N
SMILES:
Nc1nc(nc(c1)C(=O)O)c1ccc(cc1)Cl

Properties

Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.031g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.654g/mol
Monoisotopic Mass:
249.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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