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Home > Bromides > 1253789-47-7
1253789-47-7 | 1,2,4-Triazolo[4,3-a]pyridine, 6-bromo-3-ethyl-
CAS No: 1253789-47-7 Catalog No: AG000NL7 MDL No:MFCD11847688
Product Description
Catalog Number:
AG000NL7
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine, 6-bromo-3-ethyl-
CAS Number:
1253789-47-7
Molecular Formula:
C8H8BrN3
Molecular Weight:
226.0732
MDL Number:
MFCD11847688
IUPAC Name:
6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C8H8BrN3/c1-2-7-10-11-8-4-3-6(9)5-12(7)8/h3-5H,2H2,1H3
InChI Key:
FFECVJVIICFPED-UHFFFAOYSA-N
SMILES:
CCc1nnc2n1cc(Br)cc2
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.99g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.077g/mol
Monoisotopic Mass:
224.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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