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1312413-79-8 | [1,2,4]Triazolo[1,5-a]pyridine, 2-(1,1-dimethylethyl)-6-iodo-
CAS No: 1312413-79-8 Catalog No: AG000VRW MDL No:
Product Description
Catalog Number:
AG000VRW
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyridine, 2-(1,1-dimethylethyl)-6-iodo-
CAS Number:
1312413-79-8
Molecular Formula:
C10H12IN3
Molecular Weight:
301.1268
IUPAC Name:
2-tert-butyl-6-iodo-[1,2,4]triazolo[1,5-a]pyridine
InChI:
InChI=1S/C10H12IN3/c1-10(2,3)9-12-8-5-4-7(11)6-14(8)13-9/h4-6H,1-3H3
InChI Key:
HMWUSSZGJVKWNS-UHFFFAOYSA-N
SMILES:
Ic1ccc2n(c1)nc(n2)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:
301.008g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.131g/mol
Monoisotopic Mass:
301.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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