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1451885-60-1 | Pyrimidine, 2,4-dichloro-6-(methylthio)-5-nitro-
CAS No: 1451885-60-1 Catalog No: AG001KN9 MDL No:MFCD27988082
Product Description
Catalog Number:
AG001KN9
Chemical Name:
Pyrimidine, 2,4-dichloro-6-(methylthio)-5-nitro-
CAS Number:
1451885-60-1
Molecular Formula:
C5H3Cl2N3O2S
Molecular Weight:
240.0672
MDL Number:
MFCD27988082
IUPAC Name:
2,4-dichloro-6-methylsulfanyl-5-nitropyrimidine
InChI:
InChI=1S/C5H3Cl2N3O2S/c1-13-4-2(10(11)12)3(6)8-5(7)9-4/h1H3
InChI Key:
DJTKXBGRFUEERN-UHFFFAOYSA-N
SMILES:
CSc1nc(Cl)nc(c1[N+](=O)[O-])Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.932g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.058g/mol
Monoisotopic Mass:
238.932g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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