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79686-03-6 | Methyl 5-chloro-2-(methylthio);pyrimidine-4-carboxylate
CAS No: 79686-03-6 Catalog No: AG005IN3 MDL No:MFCD06496440
Product Description
Catalog Number:
AG005IN3
Chemical Name:
Methyl 5-chloro-2-(methylthio);pyrimidine-4-carboxylate
CAS Number:
79686-03-6
Molecular Formula:
C7H7ClN2O2S
Molecular Weight:
218.6607
MDL Number:
MFCD06496440
IUPAC Name:
methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate
InChI:
InChI=1S/C7H7ClN2O2S/c1-12-6(11)5-4(8)3-9-7(10-5)13-2/h3H,1-2H3
InChI Key:
PSBLUGJWGGDSKM-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(SC)ncc1Cl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.992g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.655g/mol
Monoisotopic Mass:
217.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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