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1255311-42-2 | 1,2,4-Triazolo[4,3-a]pyridine, 8-chloro-7-iodo-3-(2,2,2-trifluoroethyl)-
CAS No: 1255311-42-2 Catalog No: AG000NSV MDL No:
Product Description
Catalog Number:
AG000NSV
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine, 8-chloro-7-iodo-3-(2,2,2-trifluoroethyl)-
CAS Number:
1255311-42-2
Molecular Formula:
C8H4ClF3IN3
Molecular Weight:
361.4901
IUPAC Name:
8-chloro-7-iodo-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C8H4ClF3IN3/c9-6-4(13)1-2-16-5(3-8(10,11)12)14-15-7(6)16/h1-2H,3H2
InChI Key:
YRRJNEYFKMESBB-UHFFFAOYSA-N
SMILES:
Ic1ccn2c(c1Cl)nnc2CC(F)(F)F
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.909g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.491g/mol
Monoisotopic Mass:
360.909g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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