4-Pyrimidinecarboxylic acid, 5-chloro-2-(methylthio)-


Chemical Name: 4-Pyrimidinecarboxylic acid, 5-chloro-2-(methylthio)-
CAS Number: 61727-33-1
Product Number: AG00348T(AGN-PC-0JVIDE)
Synonyms:
MDL No: MFCD00173907
Molecular Formula: C6H5ClN2O2S
Molecular Weight: 204.6341

Identification/Properties


Properties
MP:
181.4 - 184 °C
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
204.628g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
203.976g/mol
Monoisotopic Mass:
203.976g/mol
Topological Polar Surface Area:
88.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
181
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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