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75125-83-6 | [1,2,4]Triazolo[1,5-a]pyrimidine, 7-chloro-2-(chloromethyl)-5-methyl-
CAS No: 75125-83-6 Catalog No: AG0056KW MDL No:
Product Description
Catalog Number:
AG0056KW
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidine, 7-chloro-2-(chloromethyl)-5-methyl-
CAS Number:
75125-83-6
Molecular Formula:
C7H6Cl2N4
Molecular Weight:
217.0553
IUPAC Name:
7-chloro-2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C7H6Cl2N4/c1-4-2-5(9)13-7(10-4)11-6(3-8)12-13/h2H,3H2,1H3
InChI Key:
ZVOYKKFXDAPPRX-UHFFFAOYSA-N
SMILES:
ClCc1nn2c(n1)nc(cc2Cl)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.053g/mol
Monoisotopic Mass:
215.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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