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799789-50-7 | 1H-Pyrazole-4-methanol, 1-(4,6-dichloro-2-pyrimidinyl)-5-methyl-
CAS No: 799789-50-7 Catalog No: AG0054EX MDL No:
Product Description
Catalog Number:
AG0054EX
Chemical Name:
1H-Pyrazole-4-methanol, 1-(4,6-dichloro-2-pyrimidinyl)-5-methyl-
CAS Number:
799789-50-7
Molecular Formula:
C9H8Cl2N4O
Molecular Weight:
259.0920
IUPAC Name:
[1-(4,6-dichloropyrimidin-2-yl)-5-methylpyrazol-4-yl]methanol
InChI:
InChI=1S/C9H8Cl2N4O/c1-5-6(4-16)3-12-15(5)9-13-7(10)2-8(11)14-9/h2-3,16H,4H2,1H3
InChI Key:
WJPWMXDTFWSPDK-UHFFFAOYSA-N
SMILES:
OCc1cnn(c1C)c1nc(Cl)cc(n1)Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.008g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.09g/mol
Monoisotopic Mass:
258.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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