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266309-89-1 | 5-Pyrimidinecarbonitrile, 4-amino-2-[(2-chlorophenoxy)methyl]-6-(methylthio)-
CAS No: 266309-89-1 Catalog No: AG002TWJ MDL No:MFCD00208754
Product Description
Catalog Number:
AG002TWJ
Chemical Name:
5-Pyrimidinecarbonitrile, 4-amino-2-[(2-chlorophenoxy)methyl]-6-(methylthio)-
CAS Number:
266309-89-1
Molecular Formula:
C13H11ClN4OS
Molecular Weight:
306.7706
MDL Number:
MFCD00208754
IUPAC Name:
4-amino-2-[(2-chlorophenoxy)methyl]-6-methylsulfanylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C13H11ClN4OS/c1-20-13-8(6-15)12(16)17-11(18-13)7-19-10-5-3-2-4-9(10)14/h2-5H,7H2,1H3,(H2,16,17,18)
InChI Key:
AWEXDSUAEBIMSD-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)nc(nc1SC)COc1ccccc1Cl
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.034g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.768g/mol
Monoisotopic Mass:
306.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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