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1402232-98-7 | 6-Bromo-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine
CAS No: 1402232-98-7 Catalog No: AG01F7BS MDL No:
Product Description
Catalog Number:
AG01F7BS
Chemical Name:
6-Bromo-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine
CAS Number:
1402232-98-7
Molecular Formula:
C12H7BrFN3
Molecular Weight:
292.1065
IUPAC Name:
6-bromo-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C12H7BrFN3/c13-9-3-6-11-15-16-12(17(11)7-9)8-1-4-10(14)5-2-8/h1-7H
InChI Key:
XMOLDROSCXOVNE-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nnc2n1cc(Br)cc2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.981g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.111g/mol
Monoisotopic Mass:
290.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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