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1374582-52-1 | 1,2,4-Triazolo[4,3-a]pyridine, 7-chloro-3-ethyl-8-(trifluoromethyl)-
CAS No: 1374582-52-1 Catalog No: AG0013AO MDL No:
Product Description
Catalog Number:
AG0013AO
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine, 7-chloro-3-ethyl-8-(trifluoromethyl)-
CAS Number:
1374582-52-1
Molecular Formula:
C9H7ClF3N3
Molecular Weight:
249.6202
IUPAC Name:
7-chloro-3-ethyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C9H7ClF3N3/c1-2-6-14-15-8-7(9(11,12)13)5(10)3-4-16(6)8/h3-4H,2H2,1H3
InChI Key:
NXJRGJGOQUFVRH-UHFFFAOYSA-N
SMILES:
CCc1nnc2n1ccc(c2C(F)(F)F)Cl
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.621g/mol
Monoisotopic Mass:
249.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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