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1137576-47-6 | 5-Pyrimidinemethanol, 4,6-dichloro-2-(methylthio)-α-phenyl-
CAS No: 1137576-47-6 Catalog No: AG0009L1 MDL No:
Product Description
Catalog Number:
AG0009L1
Chemical Name:
5-Pyrimidinemethanol, 4,6-dichloro-2-(methylthio)-α-phenyl-
CAS Number:
1137576-47-6
Molecular Formula:
C12H10Cl2N2OS
Molecular Weight:
301.1916
IUPAC Name:
(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)-phenylmethanol
InChI:
InChI=1S/C12H10Cl2N2OS/c1-18-12-15-10(13)8(11(14)16-12)9(17)7-5-3-2-4-6-7/h2-6,9,17H,1H3
InChI Key:
PRJBVBOSTCNDRX-UHFFFAOYSA-N
SMILES:
CSc1nc(Cl)c(c(n1)Cl)C(c1ccccc1)O
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.989g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.185g/mol
Monoisotopic Mass:
299.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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