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943613-36-3 | 3-{6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl}pyridine
CAS No: 943613-36-3 Catalog No: AG01EZHF MDL No:
Product Description
Catalog Number:
AG01EZHF
Chemical Name:
3-{6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl}pyridine
CAS Number:
943613-36-3
Molecular Formula:
C11H7BrN4
Molecular Weight:
275.1041
IUPAC Name:
6-bromo-3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C11H7BrN4/c12-9-3-4-10-14-15-11(16(10)7-9)8-2-1-5-13-6-8/h1-7H
InChI Key:
UQMSVASTWWYZJY-UHFFFAOYSA-N
SMILES:
Brc1ccc2n(c1)c(nn2)c1cccnc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.985g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.109g/mol
Monoisotopic Mass:
273.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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