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Home > Fluorides > 1418143-36-8
1418143-36-8 | 1,2,4-Triazolo[4,3-a]pyridine, 6-iodo-3-[3-(trifluoromethyl)phenyl]-
CAS No: 1418143-36-8 Catalog No: AG001H8K MDL No:
Product Description
Catalog Number:
AG001H8K
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine, 6-iodo-3-[3-(trifluoromethyl)phenyl]-
CAS Number:
1418143-36-8
Molecular Formula:
C13H7F3IN3
Molecular Weight:
389.1145
IUPAC Name:
6-iodo-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C13H7F3IN3/c14-13(15,16)9-3-1-2-8(6-9)12-19-18-11-5-4-10(17)7-20(11)12/h1-7H
InChI Key:
OEVHIJHCNXVNBD-UHFFFAOYSA-N
SMILES:
Ic1ccc2n(c1)c(nn2)c1cccc(c1)C(F)(F)F
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.964g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.12g/mol
Monoisotopic Mass:
388.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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