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75175-85-8 | [1,2,4]Triazolo[1,5-a]pyrimidine,7-chloro-5-[3-(trifluoromethyl)phenyl]-
CAS No: 75175-85-8 Catalog No: AG005E29 MDL No:
Product Description
Catalog Number:
AG005E29
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidine,7-chloro-5-[3-(trifluoromethyl)phenyl]-
CAS Number:
75175-85-8
Molecular Formula:
C12H6ClF3N4
Molecular Weight:
298.6510
IUPAC Name:
7-chloro-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C12H6ClF3N4/c13-10-5-9(19-11-17-6-18-20(10)11)7-2-1-3-8(4-7)12(14,15)16/h1-6H
InChI Key:
AXWXIUOFMUGLCL-UHFFFAOYSA-N
SMILES:
Clc1cc(nc2n1ncn2)c1cccc(c1)C(F)(F)F
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.023g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.653g/mol
Monoisotopic Mass:
298.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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