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Home > Bromides > 1418143-37-9
1418143-37-9 | 1,2,4-Triazolo[4,3-a]pyridine, 6-bromo-3-[3-(trifluoromethyl)phenyl]-
CAS No: 1418143-37-9 Catalog No: AG001H8J MDL No:
Product Description
Catalog Number:
AG001H8J
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine, 6-bromo-3-[3-(trifluoromethyl)phenyl]-
CAS Number:
1418143-37-9
Molecular Formula:
C13H7BrF3N3
Molecular Weight:
342.1140
IUPAC Name:
6-bromo-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C13H7BrF3N3/c14-10-4-5-11-18-19-12(20(11)7-10)8-2-1-3-9(6-8)13(15,16)17/h1-7H
InChI Key:
VDAOUSABYGILKY-UHFFFAOYSA-N
SMILES:
Brc1ccc2n(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:
340.978g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.119g/mol
Monoisotopic Mass:
340.978g/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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