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159331-49-4 | [1,2,4]Triazolo[1,5-a]pyrimidine, 5,7-dichloro-6-(1-methylethyl)-
CAS No: 159331-49-4 Catalog No: AG001QMP MDL No:
Product Description
Catalog Number:
AG001QMP
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidine, 5,7-dichloro-6-(1-methylethyl)-
CAS Number:
159331-49-4
Molecular Formula:
C8H8Cl2N4
Molecular Weight:
231.0819
IUPAC Name:
5,7-dichloro-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C8H8Cl2N4/c1-4(2)5-6(9)13-8-11-3-12-14(8)7(5)10/h3-4H,1-2H3
InChI Key:
CZXQBIKPEYJCQY-UHFFFAOYSA-N
SMILES:
CC(c1c(Cl)nc2n(c1Cl)ncn2)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.08g/mol
Monoisotopic Mass:
230.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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