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159331-22-3 | [1,2,4]Triazolo[1,5-a]pyrimidine, 5,7-dichloro-6-(2-chlorophenyl)-
CAS No: 159331-22-3 Catalog No: AG001QMQ MDL No:
Product Description
Catalog Number:
AG001QMQ
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidine, 5,7-dichloro-6-(2-chlorophenyl)-
CAS Number:
159331-22-3
Molecular Formula:
C11H5Cl3N4
Molecular Weight:
299.5432
IUPAC Name:
5,7-dichloro-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C11H5Cl3N4/c12-7-4-2-1-3-6(7)8-9(13)17-11-15-5-16-18(11)10(8)14/h1-5H
InChI Key:
SDJVJUUGSKORGC-UHFFFAOYSA-N
SMILES:
Clc1nc2ncnn2c(c1c1ccccc1Cl)Cl
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.958g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.539g/mol
Monoisotopic Mass:
297.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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