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89508-45-2 | Pyrimidine, 4,6-dichloro-2-(5-methyl-2-furanyl)-
CAS No: 89508-45-2 Catalog No: AG00413H MDL No:
Product Description
Catalog Number:
AG00413H
Chemical Name:
Pyrimidine, 4,6-dichloro-2-(5-methyl-2-furanyl)-
CAS Number:
89508-45-2
Molecular Formula:
C9H6Cl2N2O
Molecular Weight:
229.0627
IUPAC Name:
4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine
InChI:
InChI=1S/C9H6Cl2N2O/c1-5-2-3-6(14-5)9-12-7(10)4-8(11)13-9/h2-4H,1H3
InChI Key:
FZRHDKKUOXQAOT-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)nc(n1)c1ccc(o1)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.986g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.06g/mol
Monoisotopic Mass:
227.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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