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Home > Bromides > 1456807-51-4
1456807-51-4 | 1,2,4-Triazolo[4,3-a]pyridine, 6-bromo-3-(phenylmethyl)-
CAS No: 1456807-51-4 Catalog No: AG001DAC MDL No:
Product Description
Catalog Number:
AG001DAC
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine, 6-bromo-3-(phenylmethyl)-
CAS Number:
1456807-51-4
Molecular Formula:
C13H10BrN3
Molecular Weight:
288.1426
IUPAC Name:
3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C13H10BrN3/c14-11-6-7-12-15-16-13(17(12)9-11)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChI Key:
BSQWEAIKIAZPNI-UHFFFAOYSA-N
SMILES:
Brc1ccc2n(c1)c(nn2)Cc1ccccc1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.006g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.148g/mol
Monoisotopic Mass:
287.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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