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Home > Boronic Acids > 1056039-83-8
1056039-83-8 | 2-(2-Methyl-2H-tetrazol-5-yl)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridine
CAS No: 1056039-83-8 Catalog No: AG008TMY MDL No:MFCD18382903
Product Description
Catalog Number:
AG008TMY
Chemical Name:
2-(2-Methyl-2H-tetrazol-5-yl)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridine
CAS Number:
1056039-83-8
Molecular Formula:
C13H18BN5O2
Molecular Weight:
287.1253
MDL Number:
MFCD18382903
IUPAC Name:
2-(2-methyltetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI:
InChI=1S/C13H18BN5O2/c1-12(2)13(3,4)21-14(20-12)9-6-7-10(15-8-9)11-16-18-19(5)17-11/h6-8H,1-5H3
InChI Key:
VOEFRGFXMMXFGK-UHFFFAOYSA-N
SMILES:
Cn1nnc(n1)c1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.155g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.13g/mol
Monoisotopic Mass:
287.155g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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