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33097-11-9 | 4,6-Dichloro-2-(methylthio)pyrimidine-5-carbaldehyde
CAS No: 33097-11-9 Catalog No: AG003KJ2 MDL No:MFCD00194954
Product Description
Catalog Number:
AG003KJ2
Chemical Name:
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbaldehyde
CAS Number:
33097-11-9
Molecular Formula:
C6H4Cl2N2OS
Molecular Weight:
223.0798
MDL Number:
MFCD00194954
IUPAC Name:
4,6-dichloro-2-methylsulfanylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C6H4Cl2N2OS/c1-12-6-9-4(7)3(2-11)5(8)10-6/h2H,1H3
InChI Key:
MRHGOAKYYORQGQ-UHFFFAOYSA-N
SMILES:
CSc1nc(Cl)c(c(n1)Cl)C=O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.942g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.071g/mol
Monoisotopic Mass:
221.942g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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