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89508-43-0 | Pyrimidine, 4,6-dichloro-2-(1-methyl-1H-pyrrol-2-yl)-
CAS No: 89508-43-0 Catalog No: AG00419L MDL No:
Product Description
Catalog Number:
AG00419L
Chemical Name:
Pyrimidine, 4,6-dichloro-2-(1-methyl-1H-pyrrol-2-yl)-
CAS Number:
89508-43-0
Molecular Formula:
C9H7Cl2N3
Molecular Weight:
228.0780
IUPAC Name:
4,6-dichloro-2-(1-methylpyrrol-2-yl)pyrimidine
InChI:
InChI=1S/C9H7Cl2N3/c1-14-4-2-3-6(14)9-12-7(10)5-8(11)13-9/h2-5H,1H3
InChI Key:
ZNKSDHFLDGRLDE-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)nc(n1)c1cccn1C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.002g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.076g/mol
Monoisotopic Mass:
227.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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