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Home > Bromides > 1418143-39-1
1418143-39-1 | 1,2,4-Triazolo[4,3-a]pyridine, 6-bromo-3-(3-chlorophenyl)-
CAS No: 1418143-39-1 Catalog No: AG001H8I MDL No:
Product Description
Catalog Number:
AG001H8I
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine, 6-bromo-3-(3-chlorophenyl)-
CAS Number:
1418143-39-1
Molecular Formula:
C12H7BrClN3
Molecular Weight:
308.5611
IUPAC Name:
6-bromo-3-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C12H7BrClN3/c13-9-4-5-11-15-16-12(17(11)7-9)8-2-1-3-10(14)6-8/h1-7H
InChI Key:
YVWSFASKYAXBMD-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1nnc2n1cc(Br)cc2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.951g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.563g/mol
Monoisotopic Mass:
306.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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