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89508-73-6 | Pyrimidine, 4,6-dichloro-2-[4-(1H-pyrrol-1-yl)phenyl]-
CAS No: 89508-73-6 Catalog No: AG00417U MDL No:
Product Description
Catalog Number:
AG00417U
Chemical Name:
Pyrimidine, 4,6-dichloro-2-[4-(1H-pyrrol-1-yl)phenyl]-
CAS Number:
89508-73-6
Molecular Formula:
C14H9Cl2N3
Molecular Weight:
290.1474
IUPAC Name:
4,6-dichloro-2-(4-pyrrol-1-ylphenyl)pyrimidine
InChI:
InChI=1S/C14H9Cl2N3/c15-12-9-13(16)18-14(17-12)10-3-5-11(6-4-10)19-7-1-2-8-19/h1-9H
InChI Key:
YZKOVFXKSFJDRX-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)nc(n1)c1ccc(cc1)n1cccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.017g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.147g/mol
Monoisotopic Mass:
289.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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