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Home Halogens 5-chloro-2-(diethylamino)pyrimidine-4-carboxylic acid

5-chloro-2-(diethylamino)pyrimidine-4-carboxylic acid

CAS No.:
329268-83-9
Catalog Number:
AG019UCV
Molecular Formula:
C9H12ClN3O2
Molecular Weight:
229.6635
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Product Description
Catalog Number:
AG019UCV
Chemical Name:
5-chloro-2-(diethylamino)pyrimidine-4-carboxylic acid
CAS Number:
329268-83-9
Molecular Formula:
C9H12ClN3O2
Molecular Weight:
229.6635
MDL Number:
MFCD02709788
IUPAC Name:
5-chloro-2-(diethylamino)pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C9H12ClN3O2/c1-3-13(4-2)9-11-5-6(10)7(12-9)8(14)15/h5H,3-4H2,1-2H3,(H,14,15)
InChI Key:
NVKLOSGIRBPOMJ-UHFFFAOYSA-N
SMILES:
CCN(c1ncc(c(n1)C(=O)O)Cl)CC
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.062g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.664g/mol
Monoisotopic Mass:
229.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties