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876372-87-1 | 6-Bromo-3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine
CAS No: 876372-87-1 Catalog No: AG01EY2U MDL No:
Product Description
Catalog Number:
AG01EY2U
Chemical Name:
6-Bromo-3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine
CAS Number:
876372-87-1
Molecular Formula:
C10H12BrN3
Molecular Weight:
254.1264
IUPAC Name:
6-bromo-3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C10H12BrN3/c1-10(2,3)9-13-12-8-5-4-7(11)6-14(8)9/h4-6H,1-3H3
InChI Key:
QWESYQIJNLIFRH-UHFFFAOYSA-N
SMILES:
Brc1ccc2n(c1)c(nn2)C(C)(C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.021g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.131g/mol
Monoisotopic Mass:
253.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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