Home Halogens 4-chloro-6-methyl-2-(4-nitrophenyl)pyrimidine

4-chloro-6-methyl-2-(4-nitrophenyl)pyrimidine

CAS No.:
1153408-91-3
Catalog Number:
AG019VY2
Molecular Formula:
C11H8ClN3O2
Molecular Weight:
249.6531
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Product Description
Catalog Number:
AG019VY2
Chemical Name:
4-chloro-6-methyl-2-(4-nitrophenyl)pyrimidine
CAS Number:
1153408-91-3
Molecular Formula:
C11H8ClN3O2
Molecular Weight:
249.6531
MDL Number:
MFCD11218775
IUPAC Name:
4-chloro-6-methyl-2-(4-nitrophenyl)pyrimidine
InChI:
InChI=1S/C11H8ClN3O2/c1-7-6-10(12)14-11(13-7)8-2-4-9(5-3-8)15(16)17/h2-6H,1H3
InChI Key:
DJFUKKYCJQOIFC-UHFFFAOYSA-N
SMILES:
Cc1cc(Cl)nc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
276  
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:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.654g/mol
Monoisotopic Mass:
249.031g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties