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1374134-63-0 | 4-Pyrimidinemethanol, 5-chloro-6-methyl-2-(methylthio)-
CAS No: 1374134-63-0 Catalog No: AG001395 MDL No:
Product Description
Catalog Number:
AG001395
Chemical Name:
4-Pyrimidinemethanol, 5-chloro-6-methyl-2-(methylthio)-
CAS Number:
1374134-63-0
Molecular Formula:
C7H9ClN2OS
Molecular Weight:
204.6772
IUPAC Name:
(5-chloro-6-methyl-2-methylsulfanylpyrimidin-4-yl)methanol
InChI:
InChI=1S/C7H9ClN2OS/c1-4-6(8)5(3-11)10-7(9-4)12-2/h11H,3H2,1-2H3
InChI Key:
QWWKMKOEPSJNRR-UHFFFAOYSA-N
SMILES:
CSc1nc(CO)c(c(n1)C)Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.012g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.672g/mol
Monoisotopic Mass:
204.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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