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941294-56-0 | 6-Bromo-3-(methylthio);-[1,2,4]triazolo[4,3-a]pyridine
CAS No: 941294-56-0 Catalog No: AG003N42 MDL No:MFCD09475863
Product Description
Catalog Number:
AG003N42
Chemical Name:
6-Bromo-3-(methylthio);-[1,2,4]triazolo[4,3-a]pyridine
CAS Number:
941294-56-0
Molecular Formula:
C7H6BrN3S
Molecular Weight:
244.1116
MDL Number:
MFCD09475863
IUPAC Name:
6-bromo-3-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C7H6BrN3S/c1-12-7-10-9-6-3-2-5(8)4-11(6)7/h2-4H,1H3
InChI Key:
XHKNWSSERCJVBK-UHFFFAOYSA-N
SMILES:
CSc1nnc2n1cc(Br)cc2
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.947g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.11g/mol
Monoisotopic Mass:
242.947g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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